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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 4/20 | 0.50 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL5188672 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1452911 | 0.94 | IDO1 (0.52) | IDO1ACHETDP1CYP1A2CYP2A6 | |
| SCHEMBL11444864 | 0.86 | IDO1 (0.46) | IDO1ACHETDP1CYP1A2CYP2A6 | |
| P-Xylene SCHEMBL9119400 | 0.75 | ACHE (0.89) | IDO1ACHETDP1CYP1A2CYP2A6 | |
| P-Xylene SCHEMBL1384713 | 0.75 | ACHE (0.89) | IDO1ACHETDP1CYP1A2CYP2A6 | |
| P-Xylene SCHEMBL9119408 | 0.75 | ACHE (0.89) | IDO1ACHETDP1CYP1A2CYP2A6 | |
| P-Xylene SCHEMBL1384709 | 0.75 | — | — | |
| P-Xylene SCHEMBL1384708 | 0.75 | ACHE (0.89) | IDO1ACHETDP1CYP1A2CYP2A6 | |
| Bromide SCHEMBL158408 | 0.75 | TP53 (0.50) | IDO1TDP1CYP1A2CYP2A6TAAR1 | |
| SCHEMBL11288839 | 0.73 | CYP1A2 (0.68) | IDO1ACHETDP1CYP1A2CYP2A6 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20120190681-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | US | disclosed |
| WO-2012100135-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | WO | 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 |
| US-20080261990-A1 | Novel Pyrimidine Derivatives and their Use | BAYER HEALTHCARE AG (DE) | 2008-10-23 | — | — | US | disclosed |
| CN-101065364-A | Novel pyrimidine derivatives and their use as PPAR-alpha modulators | BAYER HEALTHCARE AG (DE) | 2007-10-31 | — | — | CN | 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-20090124616-A1 | 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS | MCL1, BCL2L1, API5 | ACHE 4621/4885CHRM2 4876/4885IDO1 344/4885 |
| US-20120190681-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ALK, PKN2, ERBB2 | ACHE 3877/4885CHRM2 3092/4885IDO1 2470/4885 |
| US-20110263599-A1 | 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS | MCL1, BCL2L1, API5 | ACHE 4621/4885CHRM2 4876/4885IDO1 344/4885 |
| US-20080261990-A1 | Novel Pyrimidine Derivatives and their Use | TYMS, TYMP, UMPS | ACHE 3915/4885CHRM2 3947/4885IDO1 1864/4885 |
“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.