Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.45 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.45 |
| ▸ | GGT1 | P19440 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6265236 | 0.85 | PTGS2 (0.52) | PTGS2ALDH1A1KDM4ETSHRHSD17B10 | |
| SCHEMBL6248489 | 0.83 | PTGS2 (0.49) | PTGS2ALDH1A1KDM4ETSHRHSD17B10 | |
| SCHEMBL6535195 | 0.81 | PTGS2 (0.59) | PTGS2ALDH1A1KDM4ETSHRHSD17B10 | |
| SCHEMBL6251325 | 0.81 | PTGS2 (0.49) | PTGS2ALDH1A1KDM4ETSHRHSD17B10 | |
| SCHEMBL6247834 | 0.81 | PTGS2 (0.52) | PTGS2ALDH1A1KDM4ETSHRHSD17B10 | |
| SCHEMBL7994705 | 0.80 | ALDH1A1 (0.43) | PTGS2ALDH1A1KDM4ETSHRHSD17B10 | |
| SCHEMBL7998149 | 0.80 | PTGS2 (0.53) | PTGS2ALDH1A1KDM4ETSHRHSD17B10 | |
| SCHEMBL6535047 | 0.79 | PTGS2 (0.52) | PTGS2ALDH1A1KDM4ETSHRHSD17B10 | |
| SCHEMBL6534992 | 0.78 | PTGS2 (0.41) | PTGS2ALDH1A1KDM4ETSHRHSD17B10 | |
| SCHEMBL6535018 | 0.78 | PTGS2 (0.53) | PTGS2PPARGPPARA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0958275-A4 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | UNIV VANDERBILT (US) | 2004-12-01 | — | — | EP | disclosed |
| US-6284918-B1 | ENZYME INHIBITORS | VANDERBILT UNIVERSITY | 2001-09-04 | — | — | US | disclosed |
| EP-0958275-A1 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | VANDERBILT UNIVERSITY (US) | 1999-11-24 | — | — | EP | disclosed |
| US-5973191-A | AN ACETOXYPHENYLALKYL SULFIDE, SALT OR HYDRATE | VANDERBILT UNIVERSITY (US) | 1999-10-26 | — | — | US | disclosed |
| WO-1998029382-A1 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | VANDERBILT UNIVERSITY (US) | 1998-07-09 | — | — | WO | disclosed |