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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | AGXT | P21549 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1794814 | 0.98 | ACHE (0.50) | ACHECA1CA2CA7CA9 | |
| Bromide SCHEMBL10653968 | 0.79 | ACHE (0.48) | ACHECA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL8086769 | 0.77 | ACHE (0.50) | ACHECA1CA2CA7CA9 | |
| SCHEMBL29411044 | 0.77 | ACHE (0.50) | ACHECA1CA2CA7CA9 | |
| SCHEMBL24031 | 0.77 | ACHE (0.50) | ACHECA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL28343465 | 0.77 | ACHE (0.67) | ACHECA1CA2CA7CA9 | |
| SCHEMBL6545404 | 0.76 | TP53 (0.53) | ALDH1A1CYP3A4RAB9ASMN1; SMN2 | |
| Bromide SCHEMBL7707898 | 0.76 | ACHE (0.45) | ACHECA1CA2CA7CA9 | |
| SCHEMBL7850246 | 0.76 | KIF11 (0.38) | ALDH1A1 | |
| SCHEMBL7848640 | 0.76 | RXRA (0.42) | CA2ALDH1A1NPC1RAB9ASMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2314590-A1 | Substituted quinolones and methods of use | ChemoCentryx, Inc. (US) | 2011-04-27 | — | — | EP | disclosed |
| EP-1954274-B8 | SUBSTITUTED QUINOLONES AND METHODS OF USE | CHEMOCENTRYX INC (US) | 2011-01-12 | — | — | EP | disclosed |
| EP-1954274-B1 | SUBSTITUTED QUINOLONES AND METHODS OF USE | CHEMOCENTRYX INC (US) | 2010-11-03 | — | — | EP | disclosed |
| US-7557213-B2 | Substituted quinolones and methods of use | CHEMOCENTRYX, INC. (US) | 2009-07-07 | — | — | US | disclosed |
| EP-1954274-A4 | SUBSTITUTED QUINOLONES AND METHODS OF USE | CHEMOCENTRYX INC (US) | 2009-01-07 | — | — | EP | disclosed |
| EP-1954274-A2 | SUBSTITUTED QUINOLONES AND METHODS OF USE | ChemoCentryx Inc (US) | 2008-08-13 | — | — | EP | disclosed |
| US-20070167443-A1 | Substituted quinolones and methods of use | CHEMOCENTRYX, INC. (US) | 2007-07-19 | — | — | US | disclosed |
| WO-2007059108-A2 | SUBSTITUTED QUINOLONES AND METHODS OF USE | CHEMOCENTRYX, INC. (US) | 2007-05-24 | — | — | WO | 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 (1 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-20070167443-A1 | Substituted quinolones and methods of use | TOP2A, NQO2, TOP2B | ACHE 1703/4885CA1 3733/4885CA2 3244/4885 |
“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.