Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CDC25A | P30304 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | CDC25C | P30307 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7189786 | 0.91 | KDM4E (0.44) | CYP2D6CDC25ACDC25BCDC25CKDM4E | |
| SCHEMBL7189779 | 0.79 | PTPN1 (0.47) | CYP2D6CDC25ACDC25BCDC25CKDM4E | |
| SCHEMBL7185652 | 0.72 | MAPT (0.32) | ALDH1A1HPGDLMNA | |
| SCHEMBL7183224 | 0.70 | CYP2D6 (0.36) | CYP2D6LMNA | |
| SCHEMBL7593531 | 0.70 | CYP1A2 (0.46) | CYP2D6ALDH1A1HPGDNPSR1LMNA | |
| SCHEMBL7187611 | 0.70 | CD274 (0.39) | KDM4EALDH1A1MAPK1CA12CA9 | |
| SCHEMBL7184328 | 0.68 | CYP1A2 (0.45) | CYP2D6ALDH1A1HPGDNPSR1LMNA | |
| SCHEMBL19354085 | 0.68 | KDM4E (0.66) | CYP2D6KDM4ELCKALDH1A1HPGD | |
| SCHEMBL67779 | 0.67 | CYP2D6 (0.72) | CYP2D6CDC25ACDC25BCDC25CKDM4E | |
| SCHEMBL29443248 | 0.67 | CYP2D6 (0.72) | CYP2D6CDC25ACDC25BCDC25CKDM4E |
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-1268494-A1 | SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS | Merck Frosst Canada & Co. (CA) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001070753-A1 | SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-09-27 | — | — | WO | disclosed |