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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.54 |
| ▸ | GRB2 | P62993 | 1/20 | 0.48 |
| ▸ | ACE | P12821 | 3/20 | 0.46 |
| ▸ | NTSR2 | O95665 | 3/20 | 0.45 |
| ▸ | NTSR1 | P30989 | 3/20 | 0.45 |
| ▸ | SORT1 | Q99523 | 3/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.45 |
| ▸ | NTMT1 | Q9BV86 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | FAP | Q12884 | 1/20 | 0.43 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.43 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 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 | |
|---|---|---|---|---|
| SCHEMBL29726629 | 0.99 | F2 (0.55) | F2OPRM1GRB2ACENTSR2 | |
| SCHEMBL29630704 | 0.96 | OPRM1 (0.56) | F2OPRM1GRB2ACENTSR2 | |
| SCHEMBL32681276 | 0.95 | OPRM1 (0.58) | F2OPRM1GRB2ACENTSR2 | |
| SCHEMBL29750444 | 0.94 | F2 (0.54) | F2OPRM1GRB2ACENTSR2 | |
| SCHEMBL31519056 | 0.93 | F2 (0.58) | F2OPRM1GRB2ACENTSR2 | |
| SCHEMBL31114279 | 0.91 | F2 (0.57) | F2OPRM1GRB2ACENTSR2 | |
| SCHEMBL29881564 | 0.90 | OPRM1 (0.59) | F2OPRM1GRB2ACENTSR2 | |
| SCHEMBL29591635 | 0.89 | OPRM1 (0.52) | F2OPRM1GRB2ACENTSR2 | |
| SCHEMBL29886812 | 0.88 | F2 (0.55) | F2OPRM1GRB2ACENTSR2 | |
| SCHEMBL38666551 | 0.88 | F2 (0.57) | F2OPRM1GRB2ACENTSR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5733880-A | ANTITUMOR AGENTS | NAPIER UNIVERSITY VENTURES LIMITED (GB) | 1998-03-31 | — | — | US | disclosed |
| EP-0721447-B1 | ANTHRACENE DERIVATIVES FOR USE AS ANTICANCER AGENT OR DYE | UNIV NAPIER (GB) | 1998-02-25 | — | — | EP | disclosed |
| WO-1995009149-A1 | ANTHRACENE DERIVATIVES FOR USE AS ANTICANCER AGENT OR DYE | NAPIER UNIVERSITY VENTURES LIMITED (GB) | 1995-04-06 | — | — | WO | disclosed |