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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7448221 | 0.90 | CYP3A4 (0.33) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7439934 | 0.86 | MMP8 (0.39) | FKBP1A | |
| SCHEMBL7433844 | 0.84 | F2 (0.37) | ALDH1A1 | |
| SCHEMBL7444786 | 0.82 | ALDH1A1 (0.34) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8098095 | 0.82 | ALDH1A1 (0.40) | TACR3ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7426657 | 0.81 | HTT (0.43) | ALDH1A1FKBP1ACA1CA2CA7 | |
| SCHEMBL7429407 | 0.78 | MMP8 (0.40) | FKBP1ACA12CA1CA2CA4 | |
| SCHEMBL7433865 | 0.76 | ITGB1 (0.31) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7448228 | 0.75 | ARG1 (0.33) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7448213 | 0.73 | F2 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5814622-A | COMPOUND USEFUL AS TRYPSIN LIKE SERINE PROTEASE AS THROMBIN INHIBITORS | ADIR ET COMPAGNIE (FR) | 1998-09-29 | — | — | US | disclosed |