Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8368904 | 0.92 | KMT2A (0.44) | CYP1A2CYP2D6CYP3A4POLBHSD11B1 | |
| SCHEMBL4630040 | 0.91 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP3A4POLBHSD11B1 | |
| Benzene SCHEMBL27392883 | 0.91 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP3A4POLBHSD11B1 | |
| SCHEMBL7749112 | 0.83 | ALDH1A1 (0.49) | POLBMEN1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL7683420 | 0.83 | TTK (0.46) | CYP1A2CYP2D6POLBTTKSSTR4 | |
| Water SCHEMBL7749371 | 0.82 | ALDH1A1 (0.48) | POLBMEN1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL7678494 | 0.81 | HTT (0.44) | CYP1A2CYP2D6POLBTTKSSTR4 | |
| SCHEMBL4631300 | 0.80 | ALDH1A1 (0.58) | CYP1A2CYP2D6POLBSMN1; SMN2LMNA | |
| SCHEMBL7744597 | 0.78 | POLB (0.44) | CYP1A2CYP2D6CYP3A4POLBHSD11B1 | |
| SCHEMBL7685568 | 0.77 | ALDH1A1 (0.50) | POLBHSD11B1SSTR4MEN1KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1089764-C | Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them | SANOFI SYNTHESIZING LAB (FR) | 2002-08-28 | — | — | CN | disclosed |
| 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-5641777-A | NEUROKININ RECEPTOR ANTAGONIST | SANOFI (FR) | 1997-06-24 | — | — | US | disclosed |