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 | 3/20 | 0.47 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1584581 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL650455 | 0.94 | TAAR1 (0.52) | TAAR1ACHETSHRCHRM2PTGS1 | |
| SCHEMBL29477327 | 0.77 | TAAR1 (0.56) | TAAR1ACHETSHRCHRM2PTGS1 | |
| SCHEMBL2090458 | 0.77 | TAAR1 (0.56) | TAAR1ACHETSHRCHRM2PTGS1 | |
| SCHEMBL143962 | 0.77 | TAAR1 (0.71) | TAAR1ACHETSHRCHRM2PTGS1 | |
| Bromide SCHEMBL27700459 | 0.76 | TAAR1 (0.50) | TAAR1ACHETSHRCHRM2PTGS1 | |
| SCHEMBL29772212 | 0.74 | TAAR1 (0.54) | TAAR1ACHETSHRCHRM2PTGS1 | |
| SCHEMBL11200954 | 0.74 | TAAR1 (0.54) | TAAR1ACHETSHRCHRM2PTGS1 | |
| SCHEMBL29458957 | 0.74 | — | — | |
| SCHEMBL40576 | 0.74 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111777529-A | 1, 4/1, 5-amino alcohol compound and preparation method thereof | 复旦大学 | 2020-10-16 | — | — | CN | disclosed |
| EP-2134685-B1 | 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS | ABBVIE INC (US) | 2015-09-02 | — | — | EP | disclosed |
| US-8859546-B2 | Picolinamide inhibitors of kinases | ABBVIE INC. (US) | 2014-10-14 | — | — | US | disclosed |
| US-8853209-B2 | 1-oxyalkyl-2-carboxy-7-nonsubstituted indole derivatives | ABBVIE INC. (US) | 2014-10-07 | — | — | US | disclosed |
| EP-2665711-A1 | PICOLINAMIDE INHIBITORS OF KINASES | Abbvie Inc. (US) | 2013-11-27 | — | — | EP | disclosed |
| CN-103380117-A | Picolinamide inhibitors of kinases | ABBOTT LAB | 2013-10-30 | — | — | CN | disclosed |
| WO-2012100135-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | WO | disclosed |
| US-20120190681-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | US | disclosed |
| US-20110263599-A1 | 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS | ABBOTT LABORATORIES | 2011-10-27 | — | — | US | disclosed |
| US-7981888-B2 | 1-oxyalkyl-2-carboxyl-7-nonsubstituted indole derivatives | ABBOTT LABORATORIES (US) | 2011-07-19 | — | — | US | disclosed |
| EP-2134685-A1 | 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS | Abbott Laboratories (US) | 2009-12-23 | — | — | EP | disclosed |
| US-20090124616-A1 | 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS | ABBOTT LABORATORIES (US) | 2009-05-14 | — | — | US | disclosed |
| WO-2008130970-A1 | 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS | ABBOTT LABORATORIES (US) | 2008-10-30 | — | — | 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 (3 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-20090124616-A1 | 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS | MCL1, BCL2L1, API5 | ACHE 4621/4885CHRM2 4876/4885TAAR1 4345/4885 |
| US-20120190681-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ALK, PKN2, ERBB2 | ACHE 3877/4885CHRM2 3092/4885TAAR1 1281/4885 |
| US-20110263599-A1 | 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS | MCL1, BCL2L1, API5 | ACHE 4621/4885CHRM2 4876/4885TAAR1 4345/4885 |
“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.