Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 7/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11205829 | 0.81 | MMP8 (0.49) | KMT2AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL11203860 | 0.76 | MMP8 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19POLB | |
| SCHEMBL7079429 | 0.76 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6PRMT1CYP2C19 | |
| SCHEMBL11201978 | 0.76 | LMNA (0.43) | RIPK1L3MBTL1POLBCES1KMT2A | |
| SCHEMBL9068773 | 0.72 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6PRMT1CYP2C19 | |
| SCHEMBL7452654 | 0.71 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6PRMT1L3MBTL1 | |
| SCHEMBL11851694 | 0.70 | KCNN4 (0.46) | CYP1A2CYP3A4CYP2D6PRMT1CYP2C19 | |
| SCHEMBL14678141 | 0.70 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19RIPK1 | |
| SCHEMBL9784977 | 0.70 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6PRMT1CYP2C19 | |
| SCHEMBL11064823 | 0.69 | IDO1 (0.55) | CYP3A4IDO1NOS3NOS1NOS2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0029719-B1 | VULCANIZABLE RUBBER COMPOSITIONS INHIBITED FROM PREMATURE VULCANIZATION BY METHYLENE THIOETHERS, AND NOVEL METHYLENE THIOETHERS | MONSANTO COMPANY (US) | 1983-02-16 | — | — | EP | disclosed |
| US-4342705-A | CONTAINING CARBONYL OR CYANO FUNCTIONAL GROUPS, USEFUL AS VULCANIZATION INHIBITORS | MONSANTO COMPANY (US) | 1982-08-03 | — | — | US | disclosed |
| EP-0029719-A1 | Vulcanizable rubber compositions inhibited from premature vulcanization by methylene thioethers, and novel methylene thioethers | MONSANTO COMPANY (US) | 1981-06-03 | — | — | EP | disclosed |
| US-4271050-A | Vulcanizable rubber compositions inhibited from premature vulcanization by methylene thioethers | MONSANTO COMPANY (US) | 1981-06-02 | — | — | US | disclosed |