Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.56 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL10999485 | 0.95 | CYP2C9 (0.48) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL10994961 | 0.92 | CYP2C9 (0.50) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL10740553 | 0.91 | CYP2C9 (0.42) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL7314526 | 0.89 | CYP2C9 (0.52) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL10996822 | 0.89 | CYP2C9 (0.62) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL7263755 | 0.87 | CYP2C9 (0.42) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL10863492 | 0.86 | CYP2C9 (0.40) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL10994856 | 0.85 | KDM4E (0.61) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL10992645 | 0.84 | ADORA3 (0.60) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL7265522 | 0.84 | CYP2C9 (0.42) | CYP2C9CYP1A2CYP3A4CYP2C19KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4558058-A | HYPOTENSIVE AGENTS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1985-12-10 | — | — | US | claimed |
| US-4558058-A | HYPOTENSIVE AGENTS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1985-12-10 | — | — | US | disclosed |