Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | SCN1A | P35498 | 3/20 | 0.52 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8913571 | 0.92 | ADORA3 (0.55) | ADORA3CYP2C9CYP1A2KDM4ECYP3A4 | |
| SCHEMBL9235442 | 0.88 | CACNA1B (0.46) | ADORA3CYP2C9CYP1A2KDM4ECYP3A4 | |
| SCHEMBL13285115 | 0.87 | CYP2C9 (0.67) | ADORA3CYP2C9CYP1A2KDM4ECYP3A4 | |
| SCHEMBL7884089 | 0.86 | NR1I2 (0.59) | ADORA3CYP2C9CYP1A2KDM4ECYP3A4 | |
| SCHEMBL6945817 | 0.86 | ALOX15 (0.51) | ADORA3CYP2C9CYP1A2KDM4ECYP3A4 | |
| SCHEMBL8097229 | 0.84 | KDM4E (0.50) | ADORA3CYP2C9CYP1A2KDM4ECYP3A4 | |
| SCHEMBL8914719 | 0.83 | CYP2C9 (0.76) | ADORA3CYP2C9CYP1A2KDM4ECYP3A4 | |
| SCHEMBL3032439 | 0.81 | MTOR (0.59) | ADORA3CYP2C9CYP1A2KDM4ECYP3A4 | |
| SCHEMBL6947901 | 0.81 | CYP2C9 (0.59) | ADORA3CYP2C9CYP1A2KDM4ECYP3A4 | |
| SCHEMBL9235674 | 0.81 | CACNA1B (0.46) | ADORA3CACNA1FCACNA1DCACNA1SCACNA1C |
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 |
|---|---|---|---|---|---|---|---|
| US-5658934-A | Aryl-substituted alkoxycarbonyl-1,4-dihydropyridine-5-carboxylic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1997-08-19 | — | — | US | disclosed |