Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL819819 | 0.80 | KMT2A (0.44) | KDM4ECYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL822890 | 0.80 | KMT2A (0.44) | KDM4ECYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8487129 | 0.80 | NOTUM (0.34) | KDM4EKMT2ANOTUMCRHR1XDH | |
| SCHEMBL8018607 | 0.79 | LMNA (0.45) | KDM4EKMT2ALMNAPKMMEN1 | |
| SCHEMBL8018603 | 0.79 | LMNA (0.45) | KDM4EKMT2ALMNAPKMMEN1 | |
| SCHEMBL11862771 | 0.77 | CYP1A2 (0.44) | KDM4ECYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL20954588 | 0.75 | KDM4E (0.37) | KDM4ECYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL22400535 | 0.75 | KDM4E (0.37) | KDM4ECYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9477461 | 0.73 | CA1 (0.52) | KDM4ECYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9477455 | 0.73 | CA1 (0.52) | KDM4ECYP1A2CYP3A4CYP2C9CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE36607-E | Pyrrolidine compounds and process of preparing | BAYER AKTIENGESELLSCHAFT (DE) | 2000-03-07 | — | — | US | disclosed |
| US-5910593-A | Highly selective process for the preparation of enantiomerically pure phenylsubstituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1999-06-08 | — | — | US | disclosed |
| US-5849924-A | Highly selective process for the preparation of enantiomerically pure phenyl-substituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives | BAYER AKTIENGESELLSCAHFT (DE) | 1998-12-15 | — | — | US | disclosed |
| US-5700948-A | CALCIUM ANTAGONISTS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-12-23 | — | — | US | disclosed |