Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.68 |
| ▸ | RAB9A | P51151 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | F10 | P00742 | 3/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | NAT1 | P18440 | 1/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 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 | |
|---|---|---|---|---|
| SCHEMBL8658514 | 0.84 | PTGS2 (0.62) | PTGS2RAB9AKDM4EALDH1A1PTGS1 | |
| SCHEMBL250146 | 0.84 | PTGS2 (0.56) | PTGS2RAB9AKDM4EALDH1A1PTGS1 | |
| SCHEMBL29415408 | 0.84 | PTGS2 (0.61) | PTGS2RAB9AKDM4EALDH1A1PTGS1 | |
| SCHEMBL937206 | 0.84 | PTGS2 (0.61) | PTGS2RAB9AKDM4EALDH1A1PTGS1 | |
| SCHEMBL4202592 | 0.82 | PTGS2 (0.55) | PTGS2RAB9AKDM4EALDH1A1PTGS1 | |
| SCHEMBL7265178 | 0.82 | PTGS2 (0.50) | PTGS2RAB9AKDM4EALDH1A1HSD11B1 | |
| SCHEMBL2447766 | 0.82 | PTGS2 (0.64) | PTGS2RAB9AKDM4EALDH1A1PTGS1 | |
| Hydrochloric Acid SCHEMBL7352630 | 0.82 | PTGS2 (0.59) | PTGS2RAB9AKDM4EALDH1A1PTGS1 | |
| SCHEMBL12545613 | 0.81 | KMT2A (0.49) | PTGS2RAB9AKDM4EALDH1A1HSD11B1 | |
| SCHEMBL6801877 | 0.81 | PTGS2 (0.49) | PTGS2RAB9AKDM4EALDH1A1HSD11B1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004039371-A2 | COMPOSITIONS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF NEUROPATHIC PAIN | PHARMACIA CORPORATION (US) | 2004-05-13 | — | — | WO | disclosed |