Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.51 |
| ▸ | CIT | O14578 | 1/20 | 0.50 |
| ▸ | GPR142 | Q7Z601 | 2/20 | 0.49 |
| ▸ | PLK4 | O00444 | 1/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.49 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | PIM1 | P11309 | 1/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | FLT4 | P35916 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.49 |
| ▸ | CDK8 | P49336 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL15577624 | 1.00 | KDM4E (0.53) | KDM4EALDH1A1PTPN1PTPN11CIT | |
| Hydrochloric Acid SCHEMBL2313763 | 0.77 | DNMT1 (0.54) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL27579461 | 0.77 | PLK4 (0.73) | KDM4EALDH1A1PTPN1PTPN11PLK4 | |
| SCHEMBL15577623 | 0.77 | ELANE (0.57) | KDM4EALDH1A1PTPN1PTPN11PLK4 | |
| SCHEMBL15577909 | 0.77 | ELANE (0.57) | KDM4EALDH1A1PTPN1PTPN11PLK4 | |
| SCHEMBL8329708 | 0.77 | ALDH1A1 (0.66) | KDM4EALDH1A1PTPN1PTPN11PLK4 | |
| SCHEMBL13100945 | 0.76 | PTPN1 (0.60) | KDM4EALDH1A1PTPN1PTPN11PLK4 | |
| SCHEMBL7370108 | 0.76 | PTPN1 (0.67) | KDM4EALDH1A1PTPN1PTPN11PLK4 | |
| SCHEMBL1902196 | 0.76 | PTPN1 (0.67) | KDM4EALDH1A1PTPN1PTPN11PLK4 | |
| SCHEMBL15432243 | 0.75 | GPR142 (0.56) | CITGPR142ROCK2ALPIPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2895482-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-07-22 | — | — | EP | claimed |
| WO-2014043019-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-03-20 | — | — | WO | claimed |