Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.44 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 3/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7200984 | 0.81 | AKR1C3 (0.56) | AKR1C3AKR1C2AKR1C4PTGS1ABCB1 | |
| SCHEMBL7202731 | 0.80 | LMNA (0.39) | LMNAALDH1A1KMT2A | |
| SCHEMBL28977346 | 0.76 | AKR1C3 (0.49) | AKR1C3AKR1C2AKR1C4PTGS1LMNA | |
| SCHEMBL20791852 | 0.73 | ALDH1A1 (0.54) | AKR1C3AKR1C2AKR1C4PTGS1LMNA | |
| SCHEMBL6514458 | 0.71 | LMNA (0.49) | AKR1C3AKR1C2AKR1C4PTGS1LMNA | |
| SCHEMBL20769675 | 0.71 | AKR1C3 (0.72) | AKR1C3AKR1C2AKR1C4PTGS1LMNA | |
| SCHEMBL7208647 | 0.70 | AKR1C3 (0.64) | AKR1C3AKR1C2AKR1C4PTGS1LMNA | |
| SCHEMBL6171169 | 0.70 | AKR1C3 (0.46) | AKR1C3AKR1C2AKR1C4PTGS1LMNA | |
| SCHEMBL29070101 | 0.69 | ALDH1A1 (0.47) | ALDH1A1PTGDR2 | |
| SCHEMBL4216463 | 0.69 | AKR1C3 (0.58) | AKR1C3AKR1C2AKR1C4PTGS1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | disclosed |