Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10868478 | 1.00 | CYP2C9 (0.44) | CYP2C9KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7263830 | 0.91 | CYP2C9 (0.39) | CYP2C9KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10866129 | 0.88 | KMT2A (0.45) | CYP2C9KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7272930 | 0.88 | KMT2A (0.45) | CYP2C9KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10625492 | 0.87 | CYP2C9 (0.53) | CYP2C9KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10870367 | 0.86 | ALDH1A1 (0.43) | CYP2C9KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7272913 | 0.85 | KMT2A (0.46) | CYP2C9KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10867143 | 0.84 | KDM4E (0.42) | CYP2C9KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10862617 | 0.84 | KMT2A (0.42) | CYP2C9KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10869697 | 0.81 | TP53 (0.38) | CYP2C9KMT2ACYP1A2CYP3A4CYP2C19 |
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-0172509-A2 | Process for the preparation of optically active, substituted 1,4-dihydropyridines and their use as medicaments | CASSELLA Aktiengesellschaft (DE) | 1986-02-26 | — | — | EP | disclosed |