Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bromobenzene. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.73 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL20599876 | 0.88 | ALDH1A1 (0.65) | ALDH1A1TDP1MAOAMAOBMAPK1 | |
| Bromobenzene SCHEMBL27804757 | 0.88 | ALDH1A1 (0.65) | ALDH1A1TDP1MAOAMAOBMAPK1 | |
| Bromobenzene SCHEMBL27479529 | 0.88 | ALDH1A1 (0.65) | ALDH1A1TDP1MAOAMAOBMAPK1 | |
| Bromobenzene SCHEMBL28167421 | 0.88 | ALDH1A1 (0.65) | ALDH1A1TDP1MAOAMAOBMAPK1 | |
| Bromobenzene SCHEMBL537562 | 0.86 | ALDH1A1 (1.00) | ALDH1A1TDP1MAOAMAOBMAPK1 | |
| Bromobenzene SCHEMBL1542 | 0.86 | — | — | |
| Bromobenzene SCHEMBL1331681 | 0.86 | — | — | |
| Bromobenzene SCHEMBL20537325 | 0.86 | ALDH1A1 (1.00) | ALDH1A1TDP1MAOAMAOBMAPK1 | |
| Bromobenzene SCHEMBL1331176 | 0.86 | — | — | |
| Bromobenzene SCHEMBL2158200 | 0.86 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1058390-C | Methods for exhibiting angiogenisis and angiogenic diseases | LILLY CO ELI (US) | 2000-11-15 | — | — | CN | disclosed |
| CN-1105361-A | Methods for exhibiting angiogenisis and angiogenic diseases | LILLY CO ELI (US) | 1995-07-19 | — | — | CN | disclosed |