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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.50 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.50 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4629950 | 0.99 | L3MBTL1 (0.53) | L3MBTL1CYP2D6OPRL1CHRM2CHRM3 | |
| SCHEMBL4631263 | 0.85 | CYP2D6 (0.56) | L3MBTL1CYP2D6OPRL1CHRM2CHRM3 | |
| Hydrochloric Acid SCHEMBL20212096 | 0.84 | POLB (0.56) | L3MBTL1CYP2D6OPRL1CHRM2CHRM3 | |
| SCHEMBL4630748 | 0.82 | CYP2D6 (0.61) | L3MBTL1CYP2D6OPRL1CHRM2CHRM3 | |
| SCHEMBL18203100 | 0.82 | L3MBTL1 (0.63) | L3MBTL1CYP2D6POLBKMT2AHTT | |
| Hydrochloric Acid SCHEMBL6543346 | 0.81 | CYP2D6 (0.59) | L3MBTL1CYP2D6OPRL1CHRM2CHRM3 | |
| SCHEMBL1771293 | 0.79 | KDM4E (0.53) | L3MBTL1CYP2D6OPRL1CHRM2CHRM3 | |
| SCHEMBL8592012 | 0.79 | GRM6 (0.38) | L3MBTL1CYP2D6HTTSMN1; SMN2SIGMAR1 | |
| SCHEMBL6544563 | 0.79 | TSHR (0.53) | L3MBTL1CYP2D6OPRL1CHRM2CHRM3 | |
| Hydrochloric Acid SCHEMBL1771544 | 0.78 | KDM4E (0.52) | L3MBTL1CYP2D6OPRL1CHRM2CHRM3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6242637-B1 | USED IN TREATMENT INVOLVING THE TACHYKININ SYSTEM, SUCH AS PAIN, ALLERGY AND INFLAMMATION, CIRCULATORY, GASTROINTESTINAL, NEUROLOGICAL, AND NEUROPSYCHIATRIC DISORDERS | SANOFI-SYNTHELABO (FR) | 2001-06-05 | — | — | US | disclosed |
| US-6011154-A | Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present | SANOFI (FR) | 2000-01-04 | — | — | US | disclosed |
| US-5977359-A | Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present | SANOFI (FR) | 1999-11-02 | — | — | US | disclosed |
| US-5869663-A | INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1999-02-09 | — | — | US | disclosed |
| US-5780466-A | DISORDERS ASSOCIATED WITH EXCESS TACHYKININS AND ALL NEUROKININ-DEPENDENT DISORDERS; ANALGESICS; RESPIRATORY, GASTROINTESTINAL, UROGENTIAL, IMMUNE, CARDIOVASCULAR AND CNS DISORDERS | SANOFI (FR) | 1998-07-14 | — | — | US | disclosed |
| US-5726313-A | Substituted arylaliphatic compounds, method of preparing them and pharmaceutical compositions in which they are present | SANOFI (FR) | 1998-03-10 | — | — | US | disclosed |
| US-5712288-A | TACHYKININ ANTAGONIST, ANTIINFLAMMATORY, ANTIALLERGEN | SANOFI (FR) | 1998-01-27 | — | — | US | disclosed |
| US-5641777-A | NEUROKININ RECEPTOR ANTAGONIST | SANOFI (FR) | 1997-06-24 | — | — | US | disclosed |