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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 4/20 | 0.39 |
| ▸ | PLG | P00747 | 2/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA4 | P22748 | 3/20 | 0.37 |
| ▸ | CA5A | P35218 | 3/20 | 0.37 |
| ▸ | CA7 | P43166 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PLAT | P00750 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7441608 | 1.00 | F2 (0.39) | F2PLGPRSS1ALDH1A1CA12 | |
| SCHEMBL7443007 | 0.97 | F2 (0.38) | F2PLGPRSS1ALDH1A1CA12 | |
| SCHEMBL7443014 | 0.97 | F2 (0.38) | F2PLGPRSS1ALDH1A1CA12 | |
| SCHEMBL7441687 | 0.97 | F2 (0.38) | F2PLGPRSS1ALDH1A1CA12 | |
| SCHEMBL7441692 | 0.97 | F2 (0.38) | F2PLGPRSS1ALDH1A1CA12 | |
| SCHEMBL7441844 | 0.96 | F2 (0.37) | F2PLGPRSS1ALDH1A1CA12 | |
| SCHEMBL7441839 | 0.96 | F2 (0.37) | F2PLGPRSS1ALDH1A1CA12 | |
| SCHEMBL7438599 | 0.89 | F2 (0.40) | F2PLGPRSS1TPSAB1MMP8 | |
| SCHEMBL7438592 | 0.89 | F2 (0.40) | F2PLGPRSS1TPSAB1MMP8 | |
| SCHEMBL7435474 | 0.89 | F2 (0.41) | F2PLGPRSS1CA12CA1 |
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 |