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 | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31555963 | 0.98 | NPC1 (0.45) | NPC1ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL1708520 | 0.98 | NPC1 (0.45) | NPC1ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL30661038 | 0.88 | ALDH1A1 (0.41) | NPC1ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL13195018 | 0.88 | ALDH1A1 (0.41) | NPC1ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL1766204 | 0.86 | NPC1 (0.46) | NPC1ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL2310683 | 0.86 | NPC1 (0.46) | NPC1ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL19385593 | 0.84 | L3MBTL1 (0.52) | NPC1ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL1098907 | 0.80 | TAAR1 (0.46) | NPC1ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL13254937 | 0.80 | POLB (0.48) | NPC1ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL18481797 | 0.80 | LMNA (0.45) | ALDH1A1CYP3A4TDP1TSHRGAA |
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-0945435-B1 | NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | WAKUNAGA PHARMA CO LTD (JP) | 2003-08-13 | — | — | EP | disclosed |
| US-6136823-A | BACTERICIDES OR VIRICIDES | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |
| EP-0945435-A1 | NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 1999-09-29 | — | — | EP | disclosed |