Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 8/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 4/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.34 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7187615 | 0.90 | CD274 (0.39) | CD274PDCD1PTGER1PTGER4PTGER3 | |
| SCHEMBL7185652 | 0.79 | MAPT (0.32) | ALDH1A1 | |
| SCHEMBL7183224 | 0.78 | CYP2D6 (0.36) | PTPN1TDP1 | |
| SCHEMBL7599157 | 0.77 | PTPN1 (0.36) | CD274PDCD1PTPN1KDM4EALDH1A1 | |
| SCHEMBL7594345 | 0.77 | PTPN1 (0.44) | CD274PDCD1PTPN1S1PR1 | |
| SCHEMBL7200760 | 0.77 | — | — | |
| SCHEMBL7188022 | 0.75 | SMN1; SMN2 (0.39) | PTPN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL7189291 | 0.75 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL7184328 | 0.75 | CYP1A2 (0.45) | CA1CA2KMT2AALDH1A1 | |
| SCHEMBL7183000 | 0.74 | TP53 (0.38) | PTPN1KMT2AALDH1A1 |
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 |