Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.53 |
| ▸ | PDPK1 | O15530 | 7/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | PTGES | O14684 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | PDE5A | O76074 | 1/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CA3 | P07451 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4020015 | 0.77 | PTGS2 (0.63) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL14401040 | 0.76 | PTGS2 (0.59) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL6342351 | 0.73 | PTGS2 (0.90) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL17457003 | 0.71 | PTGS2 (0.48) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Dimethylamine SCHEMBL7651697 | 0.71 | PTGS2 (0.91) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL3708 | 0.70 | PTGS2 (1.00) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL3669597 | 0.70 | PTGS2 (1.00) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL6430302 | 0.70 | PTGS2 (1.00) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL215932 | 0.70 | PTGS2 (1.00) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL6013909 | 0.70 | PTGS2 (0.93) | PTGS2PTGS1PDPK1CYP2C9PTGES |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9480664-B2 | Compositions and methods for treating cancer | AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) | 2016-11-01 | — | — | US | claimed |
| US-9480664-B2 | Compositions and methods for treating cancer | AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) | 2016-11-01 | — | — | US | disclosed |
| US-20160022614-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. | 2016-01-28 | — | — | US | disclosed |