Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 7/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17876590 | 0.95 | CYP2C9 (0.58) | CYP2C9CYP2C19CYP3A4THRBRXFP1 | |
| SCHEMBL17876708 | 0.91 | CYP2C9 (0.69) | CYP2C9CYP2C19CYP3A4RXFP1KDM4E | |
| SCHEMBL17876589 | 0.91 | CYP2C9 (0.62) | CYP2C9CYP2C19CYP3A4THRBKDM4E | |
| SCHEMBL17876492 | 0.90 | CYP2C9 (0.61) | CYP2C9CYP2C19CYP3A4THRBKDM4E | |
| SCHEMBL17876646 | 0.90 | CYP2C9 (0.71) | CYP2C9CYP2C19CYP3A4THRBRXFP1 | |
| SCHEMBL17876661 | 0.89 | CYP2C9 (0.72) | CYP2C9CYP2C19CYP3A4THRBMAPT | |
| SCHEMBL17876429 | 0.88 | CYP2C9 (0.59) | CYP2C9CYP2C19CYP3A4THRBRXFP1 | |
| SCHEMBL17876594 | 0.87 | CYP2C9 (0.58) | CYP2C9CYP2C19CYP3A4RXFP1 | |
| SCHEMBL17876437 | 0.87 | CYP2C9 (0.60) | CYP2C9CYP2C19CYP3A4RXFP1 | |
| SCHEMBL17876508 | 0.87 | CYP2C9 (0.58) | CYP2C9CYP2C19CYP3A4RXFP1 |
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-3027615-B1 | ANTI-INFECTIVE COMPOUNDS | PASTEUR INSTITUT KOREA (KR) | 2021-07-21 | — | — | EP | disclosed |