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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ARG1 | P05089 | 7/20 | 0.33 |
| ▸ | ARG2 | P78540 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 2/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | MMP12 | P39900 | 1/20 | 0.30 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.30 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 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 | |
|---|---|---|---|---|
| SCHEMBL7448213 | 0.83 | F2 (0.40) | — | |
| SCHEMBL7429411 | 0.83 | MMP8 (0.40) | MMP2MMP8MMP1MMP3 | |
| SCHEMBL7444658 | 0.81 | ARG1 (0.33) | ARG1ITGB1ITGA4 | |
| SCHEMBL7442519 | 0.81 | CA12 (0.36) | ARG1ARG2ALDH1A1ITGB1ITGA4 | |
| SCHEMBL7444570 | 0.80 | MMP1 (0.36) | ALDH1A1OPRM1OPRD1OPRK1MMP2 | |
| SCHEMBL7438979 | 0.79 | MME (0.40) | ARG1ARG2ALDH1A1ITGB1ITGA4 | |
| SCHEMBL7436538 | 0.79 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL7433844 | 0.79 | F2 (0.37) | ALDH1A1CYP2D6MMP2MMP1MMP3 | |
| SCHEMBL7439970 | 0.79 | METAP2 (0.36) | ALDH1A1MMP1 | |
| SCHEMBL7442043 | 0.78 | RAB9A (0.41) | ALDH1A1 |
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 |