Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6037022 | 0.82 | HDAC2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2836138 | 0.81 | CYP3A4 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27606163 | 0.81 | LMNA (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17967143 | 0.81 | HDAC1 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL967387 | 0.80 | HDAC2 (0.68) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4409663 | 0.79 | FFAR1 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1367862 | 0.78 | TRPV1 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7817965 | 0.77 | LMNA (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13903016 | 0.77 | ALDH1A1 (0.67) | ALDH1A1MAPTL3MBTL1HTT | |
| SCHEMBL26497798 | 0.77 | ALDH1A1 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5770701-A | Process for preparing targeted forms of methyltrithio antitumor agents | AMERICAN CYANAMID COMPANY (US) | 1998-06-23 | — | — | US | claimed |
| US-5770710-A | REACTING METHYLTRITHIO ANTIBIOTIC LL-E32288 DERIVATIVE WITH MERCAPTAN COMPOUND | AMERICAN CYANAMID COMPANY (US) | 1998-06-23 | — | — | US | claimed |
| US-5770701-A | Process for preparing targeted forms of methyltrithio antitumor agents | AMERICAN CYANAMID COMPANY (US) | 1998-06-23 | — | — | US | disclosed |
| US-5770710-A | REACTING METHYLTRITHIO ANTIBIOTIC LL-E32288 DERIVATIVE WITH MERCAPTAN COMPOUND | AMERICAN CYANAMID COMPANY (US) | 1998-06-23 | — | — | US | disclosed |
| EP-0392384-B1 | Targeted forms of methyltrithio antitumor agents | AMERICAN CYANAMID CO (US) | 1998-02-18 | — | — | EP | disclosed |
| US-5606040-A | DERIVATIZED OLIGOSACCHARIDE ANTIBIOTICS WITH CHROMOPHORE | AMERICAN CYANAMID COMPANY (US) | 1997-02-25 | — | — | US | disclosed |
| US-5053394-A | Protein-drug reaction product | AMERICAN CYANAMID COMPANY (US) | 1991-10-01 | — | — | US | disclosed |
| EP-0392384-A2 | Targeted forms of methyltrithio antitumor agents | AMERICAN CYANAMID COMPANY (US) | 1990-10-17 | — | — | EP | disclosed |