Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16573285 | 0.90 | ALDH1A1 (0.48) | ALDH1A1TAS2R38LMNAMAPTSMN1; SMN2 | |
| SCHEMBL7328828 | 0.88 | POLB (0.53) | ALDH1A1TP53TYRTSHRTAS2R38 | |
| SCHEMBL20459167 | 0.85 | PEPD (0.53) | ALDH1A1LMNAMAPTGAAKMT2A | |
| SCHEMBL4512426 | 0.83 | EPHX2 (0.52) | ALDH1A1CYP3A4CYP2D6CYP2C9HPGD | |
| SCHEMBL30779193 | 0.82 | AOC3 (0.60) | ALDH1A1CYP3A4CYP2D6CYP2C9HPGD | |
| SCHEMBL16573271 | 0.81 | POLB (0.49) | ALDH1A1HPGDTAS2R38MAPTSMN1; SMN2 | |
| SCHEMBL1893556 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2D6CYP2C9HPGD | |
| SCHEMBL29565379 | 0.78 | THRA (0.60) | ALDH1A1TSHRLMNAMAPTHDAC1 | |
| SCHEMBL987285 | 0.78 | HDAC3 (0.72) | ALDH1A1HPGDTP53LMNAMAPT | |
| SCHEMBL10760567 | 0.78 | ALDH1A1 (0.53) | ALDH1A1LMNAHDAC1HDAC6HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20020028469-A1 | Method of defining genus of chemical compound and method of designing molecules | BURCH RONALD M (US) | 2002-03-07 | — | — | US | disclosed |