Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 11/20 | 0.47 |
| ▸ | CTSS | P25774 | 6/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18109447 | 0.92 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL18109443 | 0.92 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL24096098 | 0.87 | CTSK (0.50) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL28496068 | 0.87 | CTSK (0.50) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL20280675 | 0.84 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL20280840 | 0.84 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL1199893 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL1199894 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL4279525 | 0.83 | CTSK (0.49) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL13828997 | 0.83 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19HTTCTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2278975-B1 | NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF | CARDIOXYL PHARMACEUTICALS INC (US) | 2016-09-07 | — | — | EP | disclosed |