Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 5/20 | 0.36 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9831416 | 0.99 | CYP3A4 (0.41) | CYP3A4BCHESMPD1ACHEDRD2 | |
| Hydrochloric Acid SCHEMBL9830079 | 0.97 | CYP3A4 (0.43) | CYP3A4BCHESMPD1ACHEDRD2 | |
| SCHEMBL9828164 | 0.90 | CYP3A4 (0.52) | CYP3A4BCHESMPD1ACHEDRD2 | |
| SCHEMBL9828379 | 0.90 | CYP3A4 (0.43) | CYP3A4BCHESMPD1ACHEDRD2 | |
| Hydrochloric Acid SCHEMBL9828727 | 0.90 | CYP3A4 (0.42) | CYP3A4BCHESMPD1ACHEDRD2 | |
| SCHEMBL9830534 | 0.88 | CYP3A4 (0.45) | CYP3A4BCHESMPD1ACHEDRD2 | |
| Hydrochloric Acid SCHEMBL9830083 | 0.87 | CYP3A4 (0.54) | CYP3A4BCHESMPD1DRD2MEN1 | |
| Hydrochloric Acid SCHEMBL9829949 | 0.87 | CYP3A4 (0.44) | CYP3A4BCHESMPD1ACHEDRD2 | |
| Fumaric Acid SCHEMBL10672958 | 0.85 | CYP3A4 (0.41) | CYP3A4BCHESMPD1ACHEDRD2 | |
| Hydrochloric Acid SCHEMBL9831719 | 0.84 | CYP3A4 (0.41) | CYP3A4BCHESMPD1ACHEMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0233291-B1 | 2-ARYLBENZOTHIAZINE DERIVATIVES | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1991-03-13 | — | — | EP | claimed |
| US-4739050-A | CALCIUM ANTAGONIST, ANTICOAGULANT | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1988-04-19 | — | — | US | claimed |
| EP-0233291-A1 | 2-ARYLBENZOTHIAZINE DERIVATIVES | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1987-08-26 | — | — | EP | claimed |