Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 11/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9118051 | 0.85 | PTGS2 (0.37) | PTGS2PTGS1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16720034 | 0.84 | PTGS2 (0.39) | KDM4EALDH1A1RAB9APTGS2PTGS1 | |
| SCHEMBL6044343 | 0.83 | PTGS2 (0.44) | KDM4EALDH1A1RAB9APTGS2PTGS1 | |
| SCHEMBL6401586 | 0.82 | PTGS2 (0.50) | PTGS2PTGS1CCR2 | |
| SCHEMBL9117190 | 0.81 | PTGS2 (0.41) | RAB9APTGS2PTGS1 | |
| SCHEMBL9012694 | 0.80 | PTGS2 (0.44) | KDM4EALDH1A1RAB9APTGS2PTGS1 | |
| SCHEMBL16719939 | 0.80 | ALOX5 (0.37) | PTGS2KIF11PTGS1CYP3A4 | |
| SCHEMBL9117320 | 0.80 | PTGS2 (0.42) | PTGS2KIF11 | |
| SCHEMBL5790164 | 0.80 | PTGS2 (0.41) | PTGS2KIF11PTGS1 | |
| SCHEMBL9012951 | 0.79 | PTGS2 (0.42) | PTGS2PTGS1CCR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | claimed |
| CN-1860121-A | Substituted imidazopyrimidines for the prophylaxis and treatment of cancer | S A L V A T LAB SA (ES) | 2006-11-08 | — | — | CN | disclosed |
| EP-1660500-A1 | SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER | LABORATORIOS S.A.L.V.A.T., S.A. (ES) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005014598-A1 | SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER | LABORATORIOS S.A.L.V.A.T., S.A. (ES) | 2005-02-17 | — | — | WO | disclosed |