Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2229888 | 0.90 | CYP1A2 (0.38) | CYP1A2MAPK1TSHR | |
| SCHEMBL2563519 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TSHR | |
| SCHEMBL2564414 | 0.75 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL27912378 | 0.72 | — | — | |
| SCHEMBL39218 | 0.71 | TSHR (0.32) | ALDH1A1TSHR | |
| SCHEMBL15641164 | 0.69 | — | — | |
| SCHEMBL15641163 | 0.69 | — | — | |
| SCHEMBL17758949 | 0.69 | — | — | |
| SCHEMBL9430224 | 0.67 | — | — | |
| SCHEMBL8323693 | 0.67 | ALDH1A1 (0.56) | ALDH1A1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103025816-B | Polymers functionalized with nitrile compounds containing a protected amino group | BRIDGESTONE CORP | 2015-07-22 | — | — | CN | disclosed |