Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPID | Q08752 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PPIB | P23284 | 1/20 | 0.38 |
| ▸ | PPIA | P62937 | 1/20 | 0.38 |
| ▸ | PPIG | Q13427 | 1/20 | 0.38 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL9335243 | 0.83 | PPID (0.43) | PPIDALDH1A1KDM4EPOLBSMN1; SMN2 | |
| SCHEMBL9337445 | 0.80 | TSHR (0.42) | PPIDALDH1A1KDM4EHTTCYP1A2 | |
| SCHEMBL31291992 | 0.78 | KIF11 (0.50) | KIF11 | |
| SCHEMBL2032145 | 0.74 | KIF11 (0.51) | KIF11 | |
| SCHEMBL2029589 | 0.74 | KIF11 (0.51) | KIF11 | |
| SCHEMBL31418322 | 0.74 | PPID (0.54) | PPIDALDH1A1KDM4EPOLBSMN1; SMN2 | |
| SCHEMBL431461 | 0.73 | KIF11 (0.46) | KIF11 | |
| SCHEMBL20271003 | 0.73 | KIF11 (0.46) | KIF11 | |
| SCHEMBL20271001 | 0.73 | KIF11 (0.46) | KIF11 | |
| SCHEMBL11741545 | 0.73 | METAP2 (0.56) | PPIDALDH1A1KDM4EPOLBSMN1; SMN2 |
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 |