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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.55 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.55 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.55 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL37862 | 0.98 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAAAPOBEC3GTDP1 | |
| SCHEMBL29396007 | 0.98 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAAAPOBEC3GTDP1 | |
| SCHEMBL11129386 | 0.96 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAAAPOBEC3GTDP1 | |
| SCHEMBL28029814 | 0.96 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAAAPOBEC3GTDP1 | |
| Hydrochloric Acid SCHEMBL20597399 | 0.96 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAAAPOBEC3GTDP1 | |
| SCHEMBL30935026 | 0.96 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAAAPOBEC3GTDP1 | |
| SCHEMBL31413044 | 0.96 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAAAPOBEC3GTDP1 | |
| SCHEMBL30297104 | 0.96 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAAAPOBEC3GTDP1 | |
| Formaldehyde SCHEMBL27908351 | 0.94 | ALDH1A1 (0.55) | ALDH1A1KDM4EGAAAPOBEC3GTDP1 | |
| SCHEMBL28863664 | 0.90 | ALDH1A1 (0.52) | ALDH1A1KDM4EGAAAPOBEC3GTDP1 |
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-0620732-B1 | METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES | ALLERGAN INC (US) | 2001-04-04 | — | — | EP | disclosed |
| EP-0549594-B1 | (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME | ALLERGAN INC (US) | 1995-02-01 | — | — | EP | disclosed |