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 | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP3 | P08254 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.35 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.35 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.35 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL7429411 | 0.91 | MMP8 (0.40) | MMP1MMP2MMP3TRPV1GGT1 | |
| SCHEMBL7443103 | 0.86 | HTT (0.44) | PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1 | |
| SCHEMBL7436538 | 0.86 | ALDH1A1 (0.36) | ALDH1A1CA1CA2 | |
| SCHEMBL7441733 | 0.86 | AKR1C3 (0.41) | ALDH1A1CA1CA2CA9CA7 | |
| SCHEMBL7444658 | 0.84 | ARG1 (0.33) | — | |
| SCHEMBL7439970 | 0.82 | METAP2 (0.36) | MMP1ALDH1A1CA2 | |
| SCHEMBL7438979 | 0.81 | MME (0.40) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL7442519 | 0.81 | CA12 (0.36) | MMP1MMP2MMP3ALDH1A1CA1 | |
| SCHEMBL7437089 | 0.80 | F2 (0.38) | MMP1MMP2MMP3OPRM1OPRD1 | |
| SCHEMBL7442043 | 0.80 | RAB9A (0.41) | ALDH1A1MAPK1 |
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 |