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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.34 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 5/20 | 0.33 |
| ▸ | CA2 | P00918 | 5/20 | 0.33 |
| ▸ | CA12 | O43570 | 4/20 | 0.33 |
| ▸ | MMP2 | P08253 | 4/20 | 0.33 |
| ▸ | CA9 | Q16790 | 4/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | TMPRSS6 | Q8IU80 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7436533 | 0.91 | HDAC3 (0.37) | ALDH1A1TBXA2RCAPN1KDM4ELMNA | |
| SCHEMBL7439934 | 0.89 | MMP8 (0.39) | EPHX2 | |
| SCHEMBL7426657 | 0.84 | HTT (0.43) | ALDH1A1SMN1; SMN2CA1CA2CA9 | |
| SCHEMBL7444776 | 0.83 | CAPN1 (0.35) | ALDH1A1TBXA2RCAPN1KDM4ELMNA | |
| SCHEMBL7438577 | 0.82 | TACR3 (0.31) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL7429407 | 0.80 | MMP8 (0.40) | CA1CA2CA12CA9EPHX2 | |
| SCHEMBL8091477 | 0.80 | TBXA2R (0.40) | ALDH1A1TBXA2RCAPN1KDM4ELMNA | |
| SCHEMBL7445495 | 0.76 | USP2 (0.32) | ALDH1A1TBXA2RKDM4ELMNAPKM | |
| SCHEMBL7443100 | 0.75 | HTT (0.44) | ALDH1A1SMN1; SMN2CA1CA2CA9 | |
| SCHEMBL7436538 | 0.75 | ALDH1A1 (0.36) | ALDH1A1TBXA2RCAPN1KDM4ELMNA |
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 |