Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL5547539 | 0.94 | TDP1 (0.69) | TDP1ALDH1A1TP53TSHR | |
| Butadiene SCHEMBL2133137 | 0.91 | — | — | |
| Butadiene SCHEMBL28152965 | 0.86 | TDP1 (0.65) | TDP1ALDH1A1TP53TSHR | |
| Acrylonitrile SCHEMBL11808927 | 0.83 | TDP1 (0.61) | TDP1ALDH1A1TP53TSHR | |
| Butadiene SCHEMBL28286276 | 0.83 | TDP1 (0.61) | TDP1ALDH1A1TP53TSHR | |
| Acrylonitrile SCHEMBL1408524 | 0.83 | ALDH1A1 (0.56) | TDP1ALDH1A1TP53TSHR | |
| Acrylic Acid SCHEMBL28067453 | 0.82 | TDP1 (0.52) | TDP1ALDH1A1TP53TSHR | |
| Butadiene SCHEMBL23535052 | 0.82 | ALDH1A1 (0.83) | ALDH1A1TP53TSHR | |
| Butadiene SCHEMBL10325977 | 0.82 | ALDH1A1 (0.83) | ALDH1A1TP53TSHR | |
| Butadiene SCHEMBL2784523 | 0.82 | ALDH1A1 (0.83) | ALDH1A1TP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1310959-C | Method for hydrogenating conjugated diene polymer, hydrogenation catalyst system, and basic conjugated diene polymer composition | NIPPON ZEON CO (JP) | 2007-04-18 | — | — | CN | disclosed |
| CN-1589283-A | Method of hydrogenating conjugated diene polymer, hydrogenation catalyst system, and composition of basic conjugated diene polymer | NIPPON ZEON CO (JP) | 2005-03-02 | — | — | CN | disclosed |