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 | |
|---|---|---|---|---|
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.47 |
| ▸ | PNMT | P11086 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.44 |
| ▸ | MEP1A | Q16819 | 1/20 | 0.44 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.44 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | KLK1 | P06870 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL580840 | 0.98 | LOXL2 (0.61) | LOXL2GLAENPP2PNMTCYP19A1 | |
| SCHEMBL30358086 | 0.98 | LOXL2 (0.61) | LOXL2GLAENPP2PNMTCYP19A1 | |
| Water SCHEMBL5709133 | 0.98 | LOXL2 (0.61) | LOXL2GLAENPP2PNMTCYP19A1 | |
| Hydrochloric Acid SCHEMBL2326110 | 0.96 | LOXL2 (0.59) | LOXL2GLAENPP2PNMTCYP19A1 | |
| SCHEMBL20946379 | 0.86 | LOXL2 (0.53) | LOXL2ENPP2PNMTADRA2CALDH1A1 | |
| Benzonitrile SCHEMBL27675762 | 0.83 | LOXL2 (0.71) | LOXL2ADRA2CMAOAMAOBKIF11 | |
| Trifluoroacetic Acid SCHEMBL27454622 | 0.82 | FFAR1 (0.48) | LOXL2GLAMRGPRX4MEP1AMEP1B | |
| SCHEMBL2004401 | 0.82 | ADRA2C (0.54) | LOXL2GLACYP19A1CYP11B1CYP11B2 | |
| SCHEMBL30580176 | 0.82 | GLA (0.47) | LOXL2GLAENPP2CYP19A1CYP11B1 | |
| Bromide SCHEMBL1840562 | 0.81 | GLA (0.50) | GLAENPP2CYP19A1CYP11B1CYP11B2 |
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 |