Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6214071 | 0.83 | ALDH1A1 (0.51) | EPHX2ALDH1A1KDM4EHTTCYP2D6 | |
| SCHEMBL8304517 | 0.74 | CYP2D6 (0.51) | EPHX2ALDH1A1KDM4EHTTCYP2D6 | |
| SCHEMBL809030 | 0.73 | ALDH1A1 (0.60) | ALDH1A1KDM4EHTTCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL11060114 | 0.73 | ALDH1A1 (0.60) | ALDH1A1KDM4EHTTCYP1A2CYP3A4 | |
| SCHEMBL9950332 | 0.73 | PKM (0.69) | ALDH1A1HTTGAAKMT2ARAB9A | |
| SCHEMBL29360234 | 0.72 | PRMT3 (0.72) | EPHX2ALDH1A1HTTHPGDNPC1 | |
| SCHEMBL11115807 | 0.71 | ALDH1A1 (0.58) | ALDH1A1KDM4EHTTCYP1A2CYP3A4 | |
| SCHEMBL16838612 | 0.71 | ALDH1A1 (0.58) | ALDH1A1KDM4EHTTCYP1A2CYP3A4 | |
| SCHEMBL11059512 | 0.71 | ALDH1A1 (0.58) | ALDH1A1KDM4EHTTCYP1A2CYP3A4 | |
| SCHEMBL11059544 | 0.70 | ALDH1A1 (0.56) | ALDH1A1KDM4EHTTCYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008076779-A2 | 2-(PIPERIDIN-4-YL0XY)PYRIMIDIN-4-AMINE DERIVATIVES AS DEOXYCYTIDINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER | LEXICON PHARMACEUTICALS, INC. (US) | 2008-06-26 | — | — | WO | disclosed |