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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.44 |
| ▸ | CCR9 | P51686 | 2/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.36 |
| ▸ | RORC | P51449 | 7/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
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 SCHEMBL8470336 | 0.87 | CCR9 (0.38) | ACSS2CCR9KDM4EALDH1A1GLA | |
| Bromide SCHEMBL7491181 | 0.83 | CDC7 (0.38) | ACSS2CCR9KDM4EALDH1A1GLA | |
| SCHEMBL7491601 | 0.72 | CYP11B2 (0.46) | ACSS2CCR9PTGER4CYP11B2CYP11B1 | |
| SCHEMBL10022331 | 0.72 | ACSS2 (0.44) | ACSS2CCR9PTGER4RORCCYP11B2 | |
| Bromide SCHEMBL7437187 | 0.71 | F2 (0.44) | CYP11B2CYP11B1KDM4EALDH1A1TSHR | |
| SCHEMBL16168681 | 0.71 | CYP2A6 (0.47) | ACSS2CCR9PTGER4CYP11B2CYP11B1 | |
| Bromide SCHEMBL7490318 | 0.70 | CA1 (0.41) | CYP11B2CYP11B1KDM4EALDH1A1TSHR | |
| SCHEMBL10022666 | 0.69 | CCR9 (0.65) | ACSS2CCR9CYP11B2CYP11B1ALDH1A1 | |
| Bromide SCHEMBL7386963 | 0.69 | ACSS2 (0.43) | ACSS2CCR9PTGER4RORCCYP11B2 | |
| SCHEMBL7435149 | 0.69 | ACSS2 (0.44) | ACSS2CCR9PTGER4RORCCYP11B2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0918768-B1 | AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS | C & C RES LAB (KR) | 2002-01-09 | — | — | EP | disclosed |
| US-6201006-B1 | ANTICOAGULANTS | C & C RESEARCH LABORATORIES (KR) | 2001-03-13 | — | — | US | disclosed |
| 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 |