Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.76 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.76 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.76 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.76 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.76 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.76 |
| ▸ | MEN1 | O00255 | 2/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.76 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.76 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.76 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.76 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.76 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.76 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.76 |
| ▸ | TSHR | P16473 | 2/20 | 0.76 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL8912955 | 0.89 | CYP2C9 (0.60) | CYP2C9CYP3A4KDM4EABCB11TBXA2R | |
| SCHEMBL8912171 | 0.88 | KDM4E (0.74) | CYP2C9CYP3A4KDM4EABCB11TBXA2R | |
| SCHEMBL9672697 | 0.88 | KDM4E (0.68) | CYP2C9CYP3A4KDM4EABCB11TBXA2R | |
| SCHEMBL9235954 | 0.88 | CYP2C9 (0.59) | CYP2C9CYP3A4KDM4EABCB11TBXA2R | |
| SCHEMBL9485314 | 0.88 | CYP2C9 (0.81) | CYP2C9CYP3A4KDM4EABCB11TBXA2R | |
| SCHEMBL7283648 | 0.88 | CYP2C9 (0.81) | CYP2C9CYP3A4KDM4EABCB11TBXA2R | |
| SCHEMBL8913291 | 0.88 | CYP2C9 (0.81) | CYP2C9CYP3A4KDM4EABCB11TBXA2R | |
| SCHEMBL11451800 | 0.87 | KDM4E (0.83) | CYP2C9CYP3A4KDM4EABCB11TBXA2R | |
| SCHEMBL10823894 | 0.87 | CYP2C9 (0.79) | CYP2C9CYP3A4KDM4EABCB11TBXA2R | |
| Felodipine SCHEMBL920025 | 0.87 | CYP2C9 (1.00) | CYP2C9CYP3A4KDM4EABCB11TBXA2R |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-7196615-A | — | — | None | — | — | JP | disclosed |
| US-5658934-A | Aryl-substituted alkoxycarbonyl-1,4-dihydropyridine-5-carboxylic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1997-08-19 | — | — | US | disclosed |
| JP-H07196615-A | ARYL-SUBSTITUTED ALKOXYCARBONYL-1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER | BAYER AG | 1995-08-01 | — | — | JP | disclosed |