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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | TERT | O14746 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7491181 | 0.79 | CDC7 (0.38) | ALDH1A1MAPTKDM4EHPGDBRD4 | |
| Bromide SCHEMBL18297972 | 0.67 | TSHR (0.37) | ALDH1A1CA12CA9 | |
| SCHEMBL10103705 | 0.66 | KMT2A (0.76) | KMT2AMCL1TERTDAOALDH1A1 | |
| Bromide SCHEMBL1453533 | 0.66 | KMT2A (0.52) | KMT2AMCL1TERTDAOALDH1A1 | |
| SCHEMBL29378766 | 0.65 | KMT2A (0.55) | KMT2AMCL1TERTDAOALDH1A1 | |
| SCHEMBL154592 | 0.65 | KMT2A (0.55) | KMT2AMCL1TERTDAOALDH1A1 | |
| SCHEMBL10881277 | 0.65 | TSHR (0.39) | ALDH1A1MAPTHPGDCA12CA9 | |
| SCHEMBL29581156 | 0.64 | KMT2A (1.00) | KMT2AMCL1TERTDAOALDH1A1 | |
| SCHEMBL214075 | 0.64 | KMT2A (1.00) | KMT2AMCL1TERTDAOALDH1A1 | |
| SCHEMBL9887744 | 0.64 | KMT2A (0.55) | KMT2AMCL1TERTDAOALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0918768-A1 | AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS | C & C Research Laboratories (KR) | 1999-06-02 | — | — | EP | disclosed |
| WO-1997045424-A1 | AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS | C & C RESEARCH LABORATORIES (KR) | 1997-12-04 | — | — | WO | disclosed |