Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.74 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.74 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.50 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.49 |
| ▸ | WNT3A | P56704 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | EDNRB | P24530 | 1/20 | 0.44 |
| ▸ | EDNRA | P25101 | 1/20 | 0.44 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5723370 | 0.86 | PTGS2 (0.78) | PTGS2PTGS1MAPTLMNAKMT2A | |
| SCHEMBL5723316 | 0.85 | PTGS2 (0.77) | PTGS2PTGS1 | |
| SCHEMBL5723358 | 0.85 | PTGS2 (1.00) | PTGS2PTGS1CTNNB1WNT3ATP53 | |
| SCHEMBL6732299 | 0.83 | PTGS2 (0.62) | PTGS2PTGS1MAPTNPC1RAB9A | |
| SCHEMBL5724506 | 0.80 | PTGS2 (0.69) | PTGS2PTGS1NPC1RAB9A | |
| SCHEMBL5723269 | 0.80 | PTGS2 (0.73) | PTGS2PTGS1EDNRBEDNRAKDM4E | |
| SCHEMBL6730868 | 0.79 | PTGS2 (0.70) | PTGS2PTGS1MAPTEDNRBEDNRA | |
| SCHEMBL5723481 | 0.79 | PTGS2 (0.81) | PTGS2PTGS1 | |
| SCHEMBL5723355 | 0.78 | PTGS2 (0.48) | PTGS2PTGS1MAPTKDM4EMEN1 | |
| SCHEMBL5723040 | 0.77 | PTGS2 (0.49) | PTGS2PTGS1CTNNB1WNT3AEDNRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1406609-B1 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2006-09-06 | — | — | EP | claimed |
| US-6706724-B2 | ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETIC AGENT | NITROMED, INC. | 2004-03-16 | — | — | US | claimed |
| US-6706724-B2 | ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETIC AGENT | NITROMED, INC. | 2004-03-16 | — | — | US | disclosed |