Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | FBP1 | P09467 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | MC5R | P33032 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8531857 | 0.92 | CYP3A4 (0.33) | ALDH1A1TDP1CYP3A4ADRA2AFBP1 | |
| SCHEMBL1457604 | 0.86 | ALDH1A1 (0.37) | ALDH1A1TDP1CYP3A4PDPK1SMN1; SMN2 | |
| SCHEMBL29515259 | 0.74 | ALDH1A1 (0.61) | ALDH1A1TDP1CYP3A4SMN1; SMN2LMNA | |
| SCHEMBL9244622 | 0.73 | ALDH1A1 (0.34) | ALDH1A1TDP1CYP3A4PDPK1SMN1; SMN2 | |
| SCHEMBL29539652 | 0.71 | PSMD14 (0.36) | ALDH1A1TDP1CYP3A4PDPK1SMN1; SMN2 | |
| SCHEMBL2046979 | 0.71 | PSMD14 (0.36) | ALDH1A1TDP1CYP3A4PDPK1SMN1; SMN2 | |
| SCHEMBL9193542 | 0.71 | ALDH1A1 (0.37) | ALDH1A1TDP1CYP3A4PDPK1SMN1; SMN2 | |
| SCHEMBL28299064 | 0.71 | MEN1 (0.47) | ALDH1A1TDP1CYP3A4SMN1; SMN2LMNA | |
| SCHEMBL20943483 | 0.70 | — | — | |
| SCHEMBL22444353 | 0.68 | ALDH1A1 (0.33) | ALDH1A1TDP1CYP3A4PDPK1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5840908-A | VULCANIZATION PROMOTERS HAVING EXCELLENT SCORCH SAFETY | CYTEC TECHNOLOGY CORP. (US) | 1998-11-24 | — | — | US | claimed |
| WO-1995030665-A1 | NOVEL SULFENAMIDE ACCELERATORS AND RUBBER COMPOSITIONS CONTAINING THE SAME | CYTEC TECHNOLOGY CORP. (US) | 1995-11-16 | — | — | WO | claimed |
| US-5840908-A | VULCANIZATION PROMOTERS HAVING EXCELLENT SCORCH SAFETY | CYTEC TECHNOLOGY CORP. (US) | 1998-11-24 | — | — | US | disclosed |
| WO-1995030665-A1 | NOVEL SULFENAMIDE ACCELERATORS AND RUBBER COMPOSITIONS CONTAINING THE SAME | CYTEC TECHNOLOGY CORP. (US) | 1995-11-16 | — | — | WO | disclosed |