Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | FYN | P06241 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL408409 | 0.91 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL410278 | 0.87 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL14619289 | 0.87 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2CYP3A4LMNACA12 | |
| SCHEMBL14619291 | 0.86 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL14619283 | 0.86 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2FYNCYP3A4CYP1A2 | |
| SCHEMBL14619286 | 0.85 | NPSR1 (0.40) | ALDH1A1SMN1; SMN2FYNCYP3A4CYP1A2 | |
| SCHEMBL14619282 | 0.84 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2FYNCYP3A4CYP1A2 | |
| SCHEMBL14619160 | 0.83 | NPSR1 (0.41) | ALDH1A1SMN1; SMN2FYNCYP3A4CYP1A2 | |
| SCHEMBL410870 | 0.83 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL411523 | 0.82 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2CYP3A4CYP1A2CYP2D6 |
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-2007014198-A1 | 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS | SYNTA PHARMACEUTICALS CORP. (US) | 2007-02-01 | — | — | WO | disclosed |