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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.30 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.30 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | SELE | P16581 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL144630 | 0.98 | GABRA1 (0.39) | GABRA1GABRB2HTTAKR1B1ALDH1A1 | |
| Water SCHEMBL2836979 | 0.96 | GABRA1 (0.38) | GABRA1GABRB2HTTAKR1B1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL668040 | 0.96 | GABRA1 (0.38) | GABRA1GABRB2HTTAKR1B1ALDH1A1 | |
| SCHEMBL10614506 | 0.83 | GABRA1 (0.40) | GABRA1GABRB2AKR1B1 | |
| SCHEMBL11667013 | 0.82 | HTT (0.41) | HTTALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL10751108 | 0.81 | GABRA1 (0.39) | GABRA1GABRB2AKR1B1 | |
| SCHEMBL11056233 | 0.81 | GABRA1 (0.41) | GABRA1GABRB2HTTAKR1B1ALDH1A1 | |
| Bromide SCHEMBL9662608 | 0.80 | GABRA1 (0.39) | GABRA1GABRB2ALDH1A1TSHRICAM1 | |
| Iodide SCHEMBL19307326 | 0.79 | GABRA1 (0.36) | GABRA1GABRB2HTTALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL11501232 | 0.78 | GABRA1 (0.39) | GABRA1GABRB2AKR1B1ALDH1A1TSHR |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0994099-B1 | Process for preparing 4-cyano-3-nitrobenzotrifluoride from 3-bromo-4-cyanobenzotrifluoride in the presence of catalytic cuprous cyanide and a phase transfer catalyst. | BAYER CROPSCIENCE SA (FR) | 2005-02-02 | — | — | EP | claimed |
| EP-1121344-A2 | CHEMICAL PROCESSES | AVENTIS CROPSCIENCE S.A. (FR) | 2001-08-08 | — | — | EP | claimed |
| WO-2000021922-A2 | CHEMICAL PROCESSES | AVENTIS CROPSCIENCE S.A. (FR) | 2000-04-20 | — | — | WO | claimed |
| EP-0994099-A1 | Chemical processes | Rhone Poulenc Agro (FR) | 2000-04-19 | — | — | EP | claimed |
| US-4866183-A | OXIDIZING TRIARYLIMIDAZOUS IN AQUEOUS ORGANIC TWO PHASE SYSTEM USING HYPOHALITE AND ONIUM SALT | BASF AKTIENGESELLSCHAFT (DE) | 1989-09-12 | — | — | US | claimed |
| US-3933768-A | RUBBER BLENDS | BRIDGESTONE TIRE COMPANY LIMITED (JA) | 1976-01-20 | — | — | US | claimed |
| US-7364723-B1 | Liquid preparation for contact lenses | MENICON CO., LTD. (JP) | 2008-04-29 | — | — | US | disclosed |
| EP-0994099-B1 | Process for preparing 4-cyano-3-nitrobenzotrifluoride from 3-bromo-4-cyanobenzotrifluoride in the presence of catalytic cuprous cyanide and a phase transfer catalyst. | BAYER CROPSCIENCE SA (FR) | 2005-02-02 | — | — | EP | disclosed |
| EP-1214883-B1 | LIQUID PREPARATION FOR CONTACT LENSES | MENICON CO LTD (JP) | 2003-11-26 | — | — | EP | disclosed |
| US-6635780-B1 | For preparing intermediates of pesticides (particularly 4-cyano-3-nitrobenzotrifluoride); comprises the reaction of the corresponding ortho-nitrohalobenzene and metal cyanide, in a non aqueous solvent | BAYER CROPSCIENCE S.A. (FR) | 2003-10-21 | — | — | US | disclosed |
| EP-1214883-A1 | LIQUID PREPARATION FOR CONTACT LENSES | MENICON CO., LTD. (JP) | 2002-06-19 | — | — | EP | disclosed |
| EP-1121344-A2 | CHEMICAL PROCESSES | AVENTIS CROPSCIENCE S.A. (FR) | 2001-08-08 | — | — | EP | disclosed |
| WO-2000021922-A2 | CHEMICAL PROCESSES | AVENTIS CROPSCIENCE S.A. (FR) | 2000-04-20 | — | — | WO | disclosed |
| EP-0994099-A1 | Chemical processes | Rhone Poulenc Agro (FR) | 2000-04-19 | — | — | EP | disclosed |
| US-3933768-A | RUBBER BLENDS | BRIDGESTONE TIRE COMPANY LIMITED (JA) | 1976-01-20 | — | — | US | disclosed |