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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | TYMP | P19971 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | CCR10 | P46092 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8855640 | 0.99 | KMT2A (0.57) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL9085256 | 0.88 | KMT2A (0.58) | KMT2ALMNATHRBCYP2C19CA12 | |
| Bromide SCHEMBL8855683 | 0.87 | KMT2A (0.57) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL8855592 | 0.87 | KMT2A (0.57) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL11348169 | 0.87 | KMT2A (0.62) | KMT2ALMNATHRBCYP2C19CA12 | |
| Hydrochloric Acid SCHEMBL8855469 | 0.86 | KMT2A (0.56) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL8855479 | 0.86 | KMT2A (0.58) | KMT2ALMNATHRBCYP2C19CA12 | |
| Hydrochloric Acid SCHEMBL11455609 | 0.86 | KMT2A (0.60) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL8855648 | 0.83 | KMT2A (0.57) | KMT2ALMNATHRBCYP2C19CA12 | |
| Bromide SCHEMBL5137846 | 0.82 | KMT2A (0.56) | KMT2ALMNATHRBCYP2C19CA12 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5652255-A | ADMINISTERING NITROIMIDAZOLE DERIVATIVE NITRIC OXIDE SYNTHASE INHIBITOR; ANTITUMOR AGENTS | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1997-07-29 | — | — | US | claimed |
| US-5521203-A | INCREASES SENSITIVITY OF CELLS TO RADIATION AND CHEMOTHERAPY | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1996-05-28 | — | — | US | claimed |
| EP-0319329-B1 | Nitro-substituted aromatic or hetero-aromatic compounds for use in cancer treatment | BRITISH TECH GROUP (GB) | 1995-11-02 | — | — | EP | claimed |
| US-5098921-A | Antitumor agents | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1992-03-24 | — | — | US | claimed |
| EP-0319329-A2 | Nitro-substituted aromatic or hetero-aromatic compounds for use in cancer treatment | BTG INTERNATIONAL LIMITED (GB) | 1989-06-07 | — | — | EP | claimed |
| US-5652255-A | ADMINISTERING NITROIMIDAZOLE DERIVATIVE NITRIC OXIDE SYNTHASE INHIBITOR; ANTITUMOR AGENTS | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1997-07-29 | — | — | US | disclosed |
| US-5521203-A | INCREASES SENSITIVITY OF CELLS TO RADIATION AND CHEMOTHERAPY | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1996-05-28 | — | — | US | disclosed |
| EP-0319329-B1 | Nitro-substituted aromatic or hetero-aromatic compounds for use in cancer treatment | BRITISH TECH GROUP (GB) | 1995-11-02 | — | — | EP | disclosed |
| US-5098921-A | Antitumor agents | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1992-03-24 | — | — | US | disclosed |
| EP-0319329-A2 | Nitro-substituted aromatic or hetero-aromatic compounds for use in cancer treatment | BTG INTERNATIONAL LIMITED (GB) | 1989-06-07 | — | — | EP | disclosed |