Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPID | Q08752 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9337445 | 0.88 | TSHR (0.42) | PPIDALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL9337142 | 0.83 | PPID (0.45) | PPIDALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL9728227 | 0.76 | CTSS (0.44) | PPARA | |
| SCHEMBL7533557 | 0.75 | GAA (0.37) | PPIDALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL7529087 | 0.73 | GAA (0.41) | PPIDALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL16291371 | 0.70 | ALDH1A1 (0.53) | PPIDALDH1A1KDM4EPOLBRXFP1 | |
| SCHEMBL431474 | 0.70 | CYP2C19 (0.38) | CYP2C19CNR1 | |
| SCHEMBL432334 | 0.70 | CYP2C19 (0.38) | CYP2C19CNR1 | |
| SCHEMBL4402049 | 0.69 | PPID (0.46) | PPIDCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11443834 | 0.69 | CYP3A4 (0.64) | PPIDALDH1A1KDM4ECYP3A4CYP2D6 |
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-0412699-B1 | Nitrosothiol derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-04-27 | — | — | EP | disclosed |
| US-5116861-A | Treatment of Hypertension and Angina Pectoris | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-05-26 | — | — | US | disclosed |
| EP-0412699-A2 | Nitrosothiol derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-02-13 | — | — | EP | disclosed |