Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 3/20 | 0.42 |
| ▸ | ADH1C | P00326 | 3/20 | 0.42 |
| ▸ | ADH1A | P07327 | 3/20 | 0.42 |
| ▸ | ADH7 | P40394 | 3/20 | 0.42 |
| ▸ | ADH4 | P08319 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 6/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL277201 | 0.75 | ADH1B (0.44) | ADH1BADH1CADH1AADH7ADH4 | |
| SCHEMBL13350781 | 0.73 | ADH1B (0.47) | ADH1BADH1CADH1AADH7ADH4 | |
| SCHEMBL28051602 | 0.71 | LTA4H (0.40) | LMNACTSK | |
| SCHEMBL1614709 | 0.71 | ALDH1A1 (0.50) | ALDH1A1TSHRLMNASMN1; SMN2CYP3A4 | |
| SCHEMBL8763220 | 0.71 | ADH1B (0.53) | ADH1BADH1CADH1AADH7ADH4 | |
| SCHEMBL6463333 | 0.71 | ALDH1A1 (0.55) | ALDH1A1TSHRLMNASMN1; SMN2CYP3A4 | |
| SCHEMBL13351161 | 0.70 | ADH1B (0.44) | ADH1BADH1CADH1AADH7ADH4 | |
| SCHEMBL19077612 | 0.70 | ADH1B (0.58) | ADH1BADH1CADH1AADH7ADH4 | |
| SCHEMBL28869088 | 0.69 | ADH1B (0.52) | ADH1BADH1CADH1AADH7ADH4 | |
| SCHEMBL28605325 | 0.69 | ALDH1A1 (0.54) | ALDH1A1TSHRLMNASMN1; SMN2CYP3A4 |
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-105408304-A | 1,2-disubstituted cyclobutyl compounds | ESTEVE LABOR DR | 2016-03-16 | — | — | CN | disclosed |