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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 2/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 7/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7439934 | 0.91 | MMP8 (0.39) | MMP8FKBP1ATRPV1EPHX2 | |
| SCHEMBL7436533 | 0.88 | HDAC3 (0.37) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL7441729 | 0.86 | AKR1C3 (0.42) | CA1CA2CA7CA9CA14 | |
| SCHEMBL7443100 | 0.85 | HTT (0.44) | FKBP1ACA1CA2CA7CA9 | |
| SCHEMBL7439965 | 0.84 | MC4R (0.35) | — | |
| SCHEMBL7448221 | 0.83 | CYP3A4 (0.33) | — | |
| SCHEMBL7429404 | 0.81 | F2 (0.46) | MMP8FKBP1A | |
| SCHEMBL7444786 | 0.80 | ALDH1A1 (0.34) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL7426657 | 0.79 | HTT (0.43) | FKBP1ACA1CA2CA7CA9 | |
| SCHEMBL7435936 | 0.78 | ALDH1A1 (0.45) | EPHX2 |
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 |