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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 5/20 | 0.95 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.56 |
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | NSD2 | O96028 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | ABAT | P80404 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL5709165 | 0.97 | LOXL2 (1.00) | LOXL2CYP2A6IDO1NSD2HRH3 | |
| SCHEMBL297224 | 0.97 | LOXL2 (1.00) | LOXL2CYP2A6IDO1NSD2HRH3 | |
| Methane SCHEMBL28234604 | 0.95 | LOXL2 (0.95) | LOXL2CYP2A6IDO1NSD2HRH3 | |
| Hydrochloric Acid SCHEMBL154002 | 0.95 | LOXL2 (0.95) | LOXL2CYP2A6IDO1NSD2HRH3 | |
| Ammonia Solution, Strong SCHEMBL20240894 | 0.95 | LOXL2 (0.95) | LOXL2CYP2A6IDO1NSD2HRH3 | |
| Hydrochloric Acid SCHEMBL7254279 | 0.93 | LOXL2 (0.91) | LOXL2CYP2A6IDO1NSD2HRH3 | |
| SCHEMBL15245752 | 0.91 | LOXL2 (0.86) | LOXL2CYP2A6IDO1NSD2HRH3 | |
| Hydrochloric Acid SCHEMBL20497332 | 0.89 | LOXL2 (0.83) | LOXL2CYP2A6IDO1NSD2HRH3 | |
| SCHEMBL4371816 | 0.85 | LOXL2 (0.76) | LOXL2CYP2A6NSD2MAPTCYP19A1 | |
| SCHEMBL6813301 | 0.82 | LOXL2 (0.70) | LOXL2CYP2A6IDO1NSD2MAPT |
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-1042287-B1 | INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA | AVENTIS PHARMA GMBH (DE) | 2005-04-20 | — | — | EP | disclosed |
| US-6337344-B1 | ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-01-08 | — | — | US | disclosed |
| EP-1042287-A1 | INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA | Aventis Pharma Deutschland GmbH (DE) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033800-A1 | INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 1999-07-08 | — | — | WO | disclosed |