Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL623566 | 0.87 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TDP1ALOX15MEN1 | |
| SCHEMBL377142 | 0.86 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TDP1ALOX15KMT2A | |
| SCHEMBL31414427 | 0.86 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TDP1ALOX15KMT2A | |
| SCHEMBL6559835 | 0.85 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TDP1ALOX15KMT2A | |
| SCHEMBL39367 | 0.83 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TDP1ALOX15MEN1 | |
| SCHEMBL30406917 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TDP1ALOX15MEN1 | |
| SCHEMBL89086 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TDP1ALOX15MEN1 | |
| SCHEMBL9381233 | 0.82 | ALDH1A1 (0.64) | ALDH1A1CYP3A4TDP1ALOX15KMT2A | |
| SCHEMBL1945443 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TDP1ALOX15MEN1 | |
| SCHEMBL2056616 | 0.81 | TSHR (0.61) | ALDH1A1CYP3A4TDP1ALOX15MEN1 |
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-2010054138-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 2010-05-14 | — | — | WO | disclosed |