Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1798643 | 0.73 | NR1I2 (0.39) | ALDH1A1TDP1 | |
| SCHEMBL1204171 | 0.73 | TP53 (0.42) | ALDH1A1TDP1TP53TRPA1PTGS1 | |
| SCHEMBL1984944 | 0.72 | ALDH1A1 (0.39) | ALDH1A1TDP1TP53TRPA1PTGS1 | |
| SCHEMBL11410046 | 0.72 | ALDH1A1 (0.48) | ALDH1A1TDP1TP53TRPA1PTGS1 | |
| SCHEMBL4758341 | 0.72 | ALDH1A1 (0.39) | ALDH1A1TDP1TP53TRPA1 | |
| SCHEMBL30920089 | 0.72 | ALDH1A1 (0.48) | ALDH1A1TDP1TP53TRPA1PTGS1 | |
| SCHEMBL1473799 | 0.72 | PTGS1 (0.40) | ALDH1A1TDP1TP53TRPA1PTGS1 | |
| SCHEMBL11427991 | 0.70 | MCL1 (0.35) | ALDH1A1TDP1TRPA1 | |
| SCHEMBL11661768 | 0.69 | ALDH1A1 (0.40) | ALDH1A1TDP1TP53TRPA1PTGS1 | |
| SCHEMBL10896146 | 0.69 | TP53 (0.42) | ALDH1A1TDP1TP53TRPA1PTGS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009003009-A1 | SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES | ENANTA PHARMACEUTICALS, INC. (US) | 2008-12-31 | — | — | WO | claimed |
| WO-2009003009-A1 | SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES | ENANTA PHARMACEUTICALS, INC. (US) | 2008-12-31 | — | — | WO | disclosed |