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 | |
|---|---|---|---|---|
| ▸ | MME | P08473 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.32 |
| ▸ | CA2 | P00918 | 4/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ARG1 | P05089 | 4/20 | 0.31 |
| ▸ | GRM7 | Q14831 | 3/20 | 0.31 |
| ▸ | ARG2 | P78540 | 2/20 | 0.31 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.31 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL7435943 | 0.87 | ALDH1A1 (0.46) | ALDH1A1ARG1ARG2 | |
| SCHEMBL7444658 | 0.82 | ARG1 (0.33) | ARG1ITGB1ITGA4 | |
| SCHEMBL7444570 | 0.81 | MMP1 (0.36) | CA1CA2CA12CA7ALDH1A1 | |
| SCHEMBL7429411 | 0.81 | MMP8 (0.40) | — | |
| SCHEMBL7436538 | 0.81 | ALDH1A1 (0.36) | CA1CA2ALDH1A1MAPT | |
| SCHEMBL7439970 | 0.80 | METAP2 (0.36) | CA2ALDH1A1 | |
| SCHEMBL7448228 | 0.79 | ARG1 (0.33) | ALDH1A1ARG1ARG2ITGB1ITGA4 | |
| SCHEMBL7444703 | 0.78 | MME (0.37) | MMEGRM7 | |
| SCHEMBL7442519 | 0.77 | CA12 (0.36) | CA1CA2CA12ALDH1A1MAPT | |
| SCHEMBL7443103 | 0.77 | HTT (0.44) | CA1CA2CA7CA14ALDH1A1 |
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 |