Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PTPRG | P23470 | 2/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 3/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | UTS2R | Q9UKP6 | 5/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7183229 | 0.88 | FDPS (0.36) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7184328 | 0.80 | CYP1A2 (0.45) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7187611 | 0.78 | CD274 (0.39) | TDP1PTPN1 | |
| SCHEMBL7184220 | 0.77 | PPARA (0.33) | CYP1A2CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL7592992 | 0.76 | LMNA (0.38) | CYP2D6CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL7596788 | 0.76 | LMNA (0.35) | LMNASMN1; SMN2L3MBTL1PTPN1 | |
| SCHEMBL7185652 | 0.76 | MAPT (0.32) | LMNAMAPT | |
| SCHEMBL7201250 | 0.76 | KMT2A (0.38) | CYP1A2LMNAMAPTL3MBTL1HTR2C | |
| SCHEMBL7200760 | 0.75 | — | — | |
| SCHEMBL7183000 | 0.75 | TP53 (0.38) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 |
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 |