Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL6168891 | 0.92 | PTGS2 (0.67) | PTGS2PTGS1KDM4EALDH1A1HPGD | |
| SCHEMBL6172104 | 0.89 | PTGS2 (0.53) | PTGS2PTGS1 | |
| SCHEMBL6181624 | 0.85 | PTGS2 (0.66) | PTGS2PTGS1CCNB2CDK1CCNB1 | |
| SCHEMBL6170598 | 0.85 | PTGS2 (0.48) | PTGS2PTGS1DYRK1AACHEBCHE | |
| SCHEMBL6171712 | 0.84 | PTGS2 (0.68) | PTGS2PTGS1 | |
| SCHEMBL6170156 | 0.83 | PTGS2 (0.50) | PTGS2PTGS1MAPT | |
| SCHEMBL6170712 | 0.83 | PTGS2 (0.53) | PTGS2PTGS1ACHEBCHEKDM4E | |
| SCHEMBL6171600 | 0.82 | PTGS2 (0.58) | PTGS2PTGS1MAPT | |
| SCHEMBL6171784 | 0.81 | PTGS2 (0.69) | PTGS2PTGS1KDM4EPOLB | |
| SCHEMBL6169677 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1DYRK1AACHEBCHE |
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-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | claimed |
| US-6608070-B1 | Useful for treatment of medical condition in which prostaglandins are implicated as pathogens | NAKAO KAZUNARI (JP) | 2003-08-19 | — | — | US | claimed |
| US-6608070-B1 | Useful for treatment of medical condition in which prostaglandins are implicated as pathogens | NAKAO KAZUNARI (JP) | 2003-08-19 | — | — | US | disclosed |