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 | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5724177 | 0.98 | IDO1 (0.59) | IDO1RAB9ALOXL2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL1133252 | 0.97 | IDO1 (0.60) | IDO1RAB9ALOXL2ALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL10499942 | 0.89 | ALDH1A1 (0.49) | IDO1RAB9ALOXL2ALDH1A1MAPT | |
| SCHEMBL10748690 | 0.86 | RAB9A (0.62) | IDO1RAB9ALOXL2ALDH1A1MAPT | |
| SCHEMBL27769196 | 0.85 | RAB9A (0.58) | IDO1RAB9ALOXL2ALDH1A1MAPT | |
| SCHEMBL1555636 | 0.85 | ALDH1A1 (0.59) | IDO1RAB9AALDH1A1MAPTAKR1C3 | |
| Hydrochloric Acid SCHEMBL4495815 | 0.84 | RAB9A (0.57) | IDO1RAB9ALOXL2ALDH1A1MAPT | |
| SCHEMBL7729899 | 0.83 | ALDH1A1 (0.58) | IDO1RAB9AALDH1A1MAPTAKR1C3 | |
| SCHEMBL5235557 | 0.83 | IDO1 (0.56) | IDO1RAB9AALDH1A1MAPTAKR1C3 | |
| SCHEMBL10749890 | 0.83 | RAB9A (0.56) | IDO1RAB9ALOXL2ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4361512-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1982-11-30 | — | — | US | disclosed |
| US-4099000-A | PROCESS FOR PREPARING DI-7-AZIDO CEPHALOSPORIN COMPOUNDS | MERCK & CO., INC. (US) | 1978-07-04 | — | — | US | disclosed |
| US-4079179-A | 6-Loweralkoxy or loweralkylthio-3-cephem-4-carboxylic acids | MERCK & CO., INC. (US) | 1978-03-14 | — | — | US | disclosed |