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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.73 |
| ▸ | RAB9A | P51151 | 1/20 | 0.73 |
| ▸ | LTA4H | P09960 | 2/20 | 0.62 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.60 |
| ▸ | HTR2A | P28223 | 2/20 | 0.59 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA7 | P43166 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL13886600 | 0.98 | NPC1 (0.76) | NPC1RAB9ALTA4HFFAR1HTR2A | |
| Hydrochloric Acid SCHEMBL4450595 | 0.96 | NPC1 (0.73) | NPC1RAB9ALTA4HFFAR1HTR2A | |
| SCHEMBL1049423 | 0.92 | NPC1 (0.67) | NPC1RAB9ALTA4HFFAR1HTR2A | |
| SCHEMBL13886620 | 0.89 | HTR2A (0.68) | NPC1RAB9ALTA4HFFAR1HTR2A | |
| SCHEMBL1586637 | 0.87 | HTR2A (0.66) | NPC1RAB9ALTA4HFFAR1HTR2A | |
| SCHEMBL922177 | 0.87 | NPC1 (0.70) | NPC1RAB9ALTA4HFFAR1TAAR1 | |
| SCHEMBL9456979 | 0.86 | NPC1 (0.80) | NPC1RAB9ALTA4HFFAR1CA12 | |
| SCHEMBL450741 | 0.86 | HTR2A (0.63) | NPC1RAB9ALTA4HFFAR1HTR2A | |
| SCHEMBL6342076 | 0.85 | RAB9A (1.00) | NPC1RAB9ALTA4HFFAR1SMN1; SMN2 | |
| SCHEMBL1684585 | 0.83 | MAOB (0.74) | NPC1RAB9ATAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0325245-B1 | Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use | TANABE SEIYAKU CO (JP) | 1993-10-20 | — | — | EP | disclosed |
| US-4948810-A | PLATELET AGGREGATION INHIBITORS | TANABE SEIYAKU CO., LTD. (JP) | 1990-08-14 | — | — | US | disclosed |
| EP-0325245-A1 | Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use | TANABE SEIYAKU CO., LTD. (JP) | 1989-07-26 | — | — | EP | disclosed |