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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 9/20 | 0.49 |
| ▸ | SLC6A4 known ✓ | P31645 | 9/20 | 0.49 |
| ▸ | SLC6A3 known ✓ | Q01959 | 9/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.97 |
| ▸ | RAB9A | P51151 | 1/20 | 0.97 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
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 SCHEMBL29634856 | 1.00 | NPC1 (0.97) | NPC1RAB9AMAPK1KDM4EMAPT | |
| SCHEMBL11040777 | 0.99 | NPC1 (1.00) | NPC1RAB9AMAPK1KDM4EMAPT | |
| SCHEMBL29389716 | 0.99 | NPC1 (1.00) | NPC1RAB9AMAPK1KDM4EMAPT | |
| Bromide SCHEMBL11038410 | 0.83 | NPC1 (0.68) | NPC1RAB9AMAPK1KDM4EMAPT | |
| Bromide SCHEMBL11038664 | 0.82 | NPC1 (0.67) | NPC1RAB9AMAPK1KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL11040607 | 0.80 | NPC1 (0.68) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11050238 | 0.80 | NPC1 (0.68) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11006639 | 0.78 | NPC1 (0.65) | NPC1RAB9AMAPK1KDM4EMAPT | |
| Bromide SCHEMBL11268045 | 0.78 | SLC6A2 (0.65) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11038643 | 0.77 | NPC1 (0.64) | NPC1RAB9ACYP3A4SLC6A2SLC6A4 |
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-0040955-B1 | 3,4-DIHYDROXYPHENYLTETRAHYDROTHIENOPYRIDINES | SMITHKLINE BECKMAN CORPORATION (US) | 1984-06-27 | — | — | EP | claimed |
| EP-0040955-B1 | 3,4-DIHYDROXYPHENYLTETRAHYDROTHIENOPYRIDINES | SMITHKLINE BECKMAN CORPORATION (US) | 1984-06-27 | — | — | EP | disclosed |
| EP-0040955-A2 | 3,4-Dihydroxyphenyltetrahydrothienopyridines | SMITHKLINE BECKMAN CORPORATION (US) | 1981-12-02 | — | — | EP | disclosed |
| US-4282227-A | Renal vasodilating 3,4-dihydroxyphenyltetrahydrothienopyridines | SMITHKLINE CORPORATION (US) | 1981-08-04 | — | — | US | disclosed |