Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.49 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.49 |
| ▸ | GGT1 | P19440 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6250169 | 0.85 | PTGS2 (0.52) | PTGS2KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL720572 | 0.81 | KDM4E (0.55) | PTGS2KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL8324534 | 0.79 | PTGS2 (0.53) | PTGS2KDM4EHSD17B10HPGDTSHR | |
| Hydrogen Peroxide SCHEMBL8008634 | 0.79 | KDM4E (0.58) | PTGS2KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL11606741 | 0.79 | PTGS2 (0.57) | PTGS2KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL6251325 | 0.79 | PTGS2 (0.49) | PTGS2KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL262973 | 0.78 | PTGS2 (0.52) | PTGS2KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL6535337 | 0.77 | PTGS2 (0.47) | PTGS2KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL6246140 | 0.77 | PTGS2 (0.51) | PTGS2KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL18499347 | 0.77 | PTGS2 (0.55) | PTGS2KDM4EHSD17B10HPGDTSHR |
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 |