Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 6/20 | 0.50 |
| ▸ | ADH1A | P07327 | 6/20 | 0.50 |
| ▸ | ADH7 | P40394 | 4/20 | 0.50 |
| ▸ | ADH1C | P00326 | 5/20 | 0.46 |
| ▸ | ADH4 | P08319 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL8627522 | 0.87 | ADH1B (0.46) | ADH1BADH1AADH7ADH1CADH4 | |
| SCHEMBL28960762 | 0.85 | ADH1B (0.46) | ADH1BADH1AADH7ADH1CADH4 | |
| SCHEMBL9766486 | 0.84 | ADH1B (0.45) | ADH1BADH1AADH7ADH1CADH4 | |
| SCHEMBL27667488 | 0.81 | ADH1B (0.44) | ADH1BADH1AADH7ADH1CADH4 | |
| SCHEMBL28824011 | 0.78 | ADH1B (0.50) | ADH1BADH1AADH7ADH1CADH4 | |
| SCHEMBL270981 | 0.78 | — | — | |
| SCHEMBL277537 | 0.75 | ADH1B (0.62) | ADH1BADH1AADH7ADH1CADH4 | |
| SCHEMBL6022099 | 0.75 | ADH1B (0.62) | ADH1BADH1AADH7ADH1CADH4 | |
| SCHEMBL10580815 | 0.75 | ADH1B (0.62) | ADH1BADH1AADH7ADH1CADH4 | |
| SCHEMBL16297549 | 0.74 | ADH1B (0.54) | ADH1BADH1AADH7ADH1CADH4 |
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-105377808-B | Method for producing trans-bis (aminomethyl) cyclohexane and method for producing bis (isocyanatomethyl) cyclohexane | 三井化学株式会社 | 2018-05-29 | — | — | CN | disclosed |