Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.56 |
| ▸ | THPO | P40225 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL10620520 | 0.92 | KDM4E (0.64) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10623358 | 0.91 | KDM4E (0.50) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10623332 | 0.89 | KDM4E (0.61) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10734957 | 0.89 | CYP2C9 (0.50) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7272913 | 0.88 | KMT2A (0.46) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10996510 | 0.85 | HSD17B10 (0.52) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| Elnadipine SCHEMBL10621302 | 0.85 | CYP2C9 (0.48) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| Elnadipine SCHEMBL1230215 | 0.85 | CYP2C9 (0.48) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10625492 | 0.85 | CYP2C9 (0.53) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10620521 | 0.84 | KDM4E (0.45) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 |
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-4760147-A | Isopropyl 1,4-dihydro-2,6-dimethyl-4-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2 -yl)pyridine-5-carboxylate | CASSELLA AKTIENGESELLSCHAFT (DE) | 1988-07-26 | — | — | US | claimed |
| US-4558058-A | HYPOTENSIVE AGENTS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1985-12-10 | — | — | US | disclosed |