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 | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 2/20 | 0.34 |
| ▸ | PLG | P00747 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7436527 | 0.90 | F2 (0.38) | CAPN1USP2ALDH1A1TBXA2RF2 | |
| SCHEMBL7444553 | 0.89 | F2 (0.41) | F2PLGPRSS1F10 | |
| SCHEMBL7435474 | 0.89 | F2 (0.41) | F2PLGPRSS1F10 | |
| SCHEMBL7435478 | 0.89 | F2 (0.41) | F2PLGPRSS1F10 | |
| SCHEMBL7443014 | 0.88 | F2 (0.38) | ALDH1A1F2PLGPRSS1TPSAB1 | |
| SCHEMBL7443007 | 0.88 | F2 (0.38) | ALDH1A1F2PLGPRSS1TPSAB1 | |
| SCHEMBL7445671 | 0.88 | F2 (0.34) | F2PLGPRSS1EPHX2TPSAB1 | |
| SCHEMBL7441844 | 0.88 | F2 (0.37) | ALDH1A1F2PLGPRSS1TPSAB1 | |
| SCHEMBL7441839 | 0.88 | F2 (0.37) | ALDH1A1F2PLGPRSS1TPSAB1 | |
| SCHEMBL7437089 | 0.87 | F2 (0.38) | F2PLGPRSS1F10 |
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 |