Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TXN | P10599 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL357736 | 0.75 | TXN (0.39) | ALDH1A1HPGDTDP1CYP1A2CYP2D6 | |
| SCHEMBL4443518 | 0.72 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL11665005 | 0.69 | CYP1A2 (0.41) | ALDH1A1HPGDTDP1CYP1A2CYP2D6 | |
| SCHEMBL2046979 | 0.68 | PSMD14 (0.36) | ALDH1A1HPGDTDP1CYP1A2CYP2D6 | |
| SCHEMBL8735444 | 0.68 | TXN (0.43) | ALDH1A1HPGDTDP1CYP1A2CYP2D6 | |
| SCHEMBL28286521 | 0.66 | LMNA (0.41) | ALDH1A1TDP1 | |
| SCHEMBL27784528 | 0.65 | TXN (0.56) | ALDH1A1HPGDTDP1CYP1A2CYP2D6 | |
| SCHEMBL5205910 | 0.63 | — | — | |
| SCHEMBL21072843 | 0.63 | NPC1 (0.33) | ALDH1A1HPGDTDP1 | |
| SCHEMBL7055244 | 0.62 | ALDH1A1 (0.65) | ALDH1A1HPGDTDP1CYP1A2CYP2D6 |
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-0680997-B1 | Rubber compositions containing sulfur-bearing organosilicon compounds | BAYER AG (DE) | 1998-09-30 | — | — | EP | disclosed |
| EP-0680997-A1 | Rubber compositions containing sulfur-bearing organosilicon compounds | BAYER AG (DE) | 1995-11-08 | — | — | EP | disclosed |