Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 7/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4058118 | 0.88 | ALDH1A1 (0.60) | ALDH1A1CYP2C19TDP1SMN1; SMN2LMNA | |
| SCHEMBL11668172 | 0.87 | ALDH1A1 (0.63) | ALDH1A1CYP2C19TDP1SMN1; SMN2LMNA | |
| SCHEMBL2560714 | 0.83 | ALDH1A1 (0.72) | ALDH1A1CYP2C19TDP1SMN1; SMN2LMNA | |
| SCHEMBL7322529 | 0.82 | ALDH1A1 (0.63) | ALDH1A1CYP2C19TDP1SMN1; SMN2LMNA | |
| SCHEMBL4059272 | 0.82 | ALDH1A1 (0.63) | ALDH1A1CYP2C19TDP1SMN1; SMN2LMNA | |
| SCHEMBL4059267 | 0.81 | CYP2C19 (0.54) | ALDH1A1CYP2C19TDP1SMN1; SMN2AKR1C3 | |
| SCHEMBL4059271 | 0.81 | CYP2C19 (0.54) | ALDH1A1CYP2C19TDP1SMN1; SMN2AKR1C3 | |
| SCHEMBL21086926 | 0.80 | ALDH1A1 (0.60) | ALDH1A1CYP2C19SMN1; SMN2LMNAAKR1C3 | |
| SCHEMBL29955316 | 0.79 | ALDH1A1 (0.60) | ALDH1A1CYP2C19TDP1SMN1; SMN2LMNA | |
| SCHEMBL14612820 | 0.78 | ALDH1A1 (0.67) | ALDH1A1CYP2C19TDP1SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009111260-A1 | PHENYLSULFONAMIDE-SUBSTITUTED, PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF | WYETH (US) | 2009-09-11 | — | — | WO | disclosed |