Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4963439 | 0.91 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AMAPTHPGD | |
| SCHEMBL4963443 | 0.91 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2AMAPTHPGD | |
| SCHEMBL4767800 | 0.89 | POLB (0.47) | ALDH1A1MEN1KMT2AMAPTHPGD | |
| SCHEMBL4771906 | 0.88 | POLB (0.44) | ALDH1A1MEN1KMT2AMAPTHPGD | |
| SCHEMBL4961167 | 0.88 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2AMAPTHPGD | |
| SCHEMBL4776039 | 0.86 | MAPT (0.42) | ALDH1A1MEN1KMT2AMAPTHPGD | |
| SCHEMBL4766464 | 0.85 | POLB (0.48) | ALDH1A1MEN1KMT2AMAPTHPGD | |
| SCHEMBL4961397 | 0.84 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2AMAPTHPGD | |
| SCHEMBL4962700 | 0.84 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AMAPTHPGD | |
| SCHEMBL4960989 | 0.84 | NPC1 (0.44) | ALDH1A1MEN1KMT2AMAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1896484-A2 | TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER | Nycomed GmbH (DE) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006125813-A2 | TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER | NYCOMED GMBH (DE) | 2006-11-30 | — | — | WO | disclosed |