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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.32 |
| ▸ | TYMP | P19971 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4824479 | 0.97 | HTT (0.37) | HTTNPC1HPGDMAPK1RAB9A | |
| Bromide SCHEMBL6258898 | 0.91 | GPR35 (0.42) | GPR35ALDH1A1TYMP | |
| SCHEMBL2492202 | 0.88 | GPR35 (0.44) | GPR35ALDH1A1TYMP | |
| SCHEMBL5715261 | 0.88 | GPR35 (0.44) | GPR35ALDH1A1TYMP | |
| SCHEMBL31017017 | 0.88 | GPR35 (0.44) | GPR35ALDH1A1TYMP | |
| SCHEMBL3559696 | 0.88 | GPR35 (0.44) | GPR35ALDH1A1TYMP | |
| SCHEMBL1413157 | 0.88 | GPR35 (0.44) | GPR35ALDH1A1TYMP | |
| SCHEMBL23094090 | 0.86 | NPC1 (0.33) | HTTNPC1HPGDMAPK1RAB9A | |
| SCHEMBL8002662 | 0.79 | NPC1 (0.33) | HTTNPC1HPGDMAPK1RAB9A | |
| SCHEMBL13834865 | 0.78 | GPR35 (0.41) | GPR35ALDH1A1TYMP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005070992-A2 | CONJUGATED THIOPHENE COMPOUND, CONPRISING PERFLUORINATED AND ALKYLATED SIDECHAINS, CONDUCTIVE ORGANIC THIN FILM CONTAINING THE COMPOUND, AND FIELD-EFFECT TYPE ORGANIC TRANSISTOR EMPLOYING THE THIN FILM | CANON KABUSHIKI KAISHA (JP) | 2005-08-04 | — | — | WO | disclosed |