Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7404883 | 0.80 | MEN1 (0.33) | MEN1CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL8682161 | 0.79 | MEN1 (0.43) | MEN1CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL18166955 | 0.79 | CHRM2 (0.33) | MEN1KMT2AALDH1A1GAAXBP1 | |
| SCHEMBL7405162 | 0.76 | CA12 (0.35) | MEN1KMT2AALDH1A1GRM3CA12 | |
| SCHEMBL12724666 | 0.72 | DPP4 (0.47) | MEN1CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL13261144 | 0.72 | DPP4 (0.47) | MEN1CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL12311406 | 0.71 | DPP4 (0.38) | DPP4ALDH1A1 | |
| SCHEMBL28689661 | 0.71 | CA12 (0.36) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL28689659 | 0.71 | CA12 (0.36) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL8486050 | 0.70 | SMN1; SMN2 (0.46) | CYP2C19ALDH1A1GAASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5753659-A | ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, | ZENECA LIMITED (GB) | 1998-05-19 | — | — | US | disclosed |
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |
| US-5563141-A | INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION | ZENECA LIMITED (GB) | 1996-10-08 | — | — | US | disclosed |