Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.47 |
| ▸ | BAD | Q92934 | 1/20 | 0.47 |
| ▸ | PNMT | P11086 | 2/20 | 0.43 |
| ▸ | CD44 | P16070 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPN | P05981 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3961093 | 0.98 | BCL2L1 (0.48) | BCL2L1BADPNMTCD44PARP1 | |
| Hydrochloric Acid SCHEMBL11569899 | 0.96 | BCL2L1 (0.47) | BCL2L1BADPNMTCD44PARP1 | |
| Bromide SCHEMBL22117637 | 0.82 | CD44 (0.59) | BCL2L1BADPNMTCD44PARP1 | |
| Bromide SCHEMBL3306332 | 0.82 | PNMT (0.65) | BCL2L1BADPNMTCD44 | |
| SCHEMBL29945525 | 0.80 | BCL2L1 (0.48) | BCL2L1BADPNMTPARP1DRD2 | |
| SCHEMBL19028377 | 0.80 | BCL2L1 (0.48) | BCL2L1BADPNMTPARP1DRD2 | |
| SCHEMBL29914246 | 0.79 | PNMT (0.67) | BCL2L1BADPNMTCD44 | |
| SCHEMBL1956718 | 0.79 | CD44 (0.61) | BCL2L1BADPNMTCD44PARP1 | |
| SCHEMBL30826977 | 0.79 | CD44 (0.61) | BCL2L1BADPNMTCD44PARP1 | |
| SCHEMBL3157785 | 0.79 | PNMT (0.67) | BCL2L1BADPNMTCD44 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9914719-B2 | Hydroxybenzamide derivatives and their use as inhibitors of HSP90 | ASTEX THERAPEUTICS LTD. (GB) | 2018-03-13 | — | — | US | disclosed |
| EP-2073804-B1 | HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN | ASTEX THERAPEUTICS LTD (GB) | 2017-09-13 | — | — | EP | disclosed |
| US-9730912-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2017-08-15 | — | — | US | disclosed |
| US-20150045362-A1 | Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 | ASTEX THERAPEUTICS LTD. (GB) | 2015-02-12 | — | — | US | disclosed |
| US-8916552-B2 | Pharmaceutical combinations | ASTEX THERAPEUTICS LIMITED (GB) | 2014-12-23 | — | — | US | disclosed |
| US-8883790-B2 | Pharmaceutical combinations | ASTEX THERAPEUTICS LIMITED (GB) | 2014-11-11 | — | — | US | disclosed |
| US-8816087-B2 | Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 | ASTEX THERAPEUTICS LIMITED (GB) | 2014-08-26 | — | — | US | disclosed |
| US-8779132-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2014-07-15 | — | — | US | disclosed |
| US-8530469-B2 | Therapeutic combinations of hydroxybenzamide derivatives as inhibitors of HSP90 | ASTEX THERAPEUTICS LTD. (GB) | 2013-09-10 | — | — | US | disclosed |
| EP-1877379-B1 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | ASTEX THERAPEUTICS LTD (GB) | 2013-01-16 | — | — | EP | disclosed |
| WO-2008044045-A1 | PHARMACEUTICAL COMBINATIONS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-04-17 | — | — | WO | disclosed |
| WO-2008044029-A1 | PHARMACEUTICAL COMBINATIONS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-04-17 | — | — | WO | disclosed |
| EP-1877379-A1 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | Astex Therapeutics Limited (GB) | 2008-01-16 | — | — | EP | disclosed |
| US-20070276026-A1 | Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 | ASTEX THERAPEUTICS LIMITED (GB) | 2007-11-29 | — | — | US | disclosed |
| US-20070259886-A1 | (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma | ASTEX THERAPEUTICS, LTD. (GB) | 2007-11-08 | — | — | US | disclosed |
| US-20070259871-A1 | Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 | ASTEX THERAPEUTICS LIMITED (GB) | 2007-11-08 | — | — | US | disclosed |
| CN-1910149-A | Bronchodilatory compounds | RESPIRATORIUS AB (SE) | 2007-02-07 | — | — | CN | disclosed |
| WO-2006109085-A1 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | ASTEX THERAPEUTICS LIMITED (GB) | 2006-10-19 | — | — | WO | disclosed |
| US-5026856-A | Bactericides | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1991-06-25 | — | — | US | disclosed |
| EP-0343560-A2 | Isoindoline derivative | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1989-11-29 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070276026-A1 | Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 | HSP90AB1, HSP90AB2P, HSP90AA1 | BCL2L1 1097/4885BAD 2510/4885PNMT 2754/4885 |
| US-20070259886-A1 | (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma | HSP90AB2P, HSP90AA1, HSP90AB1 | BCL2L1 389/4885BAD 716/4885PNMT 3749/4885 |
| US-20070259871-A1 | Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 | HSP90AB1, HSP90AB2P, HSP90AA1 | BCL2L1 1103/4885BAD 2511/4885PNMT 2768/4885 |
| US-20150045362-A1 | Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 | HSP90AB1, HSP90AB2P, HSP90AA1 | BCL2L1 1103/4885BAD 2511/4885PNMT 2768/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.