Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 5/20 | 0.48 |
| ▸ | ADH1A | P07327 | 5/20 | 0.48 |
| ▸ | ADH1C | P00326 | 4/20 | 0.48 |
| ▸ | ADH4 | P08319 | 2/20 | 0.48 |
| ▸ | ADH7 | P40394 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.31 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL981043 | 1.00 | ADH1B (0.48) | ADH1BADH1AADH1CADH4ADH7 | |
| SCHEMBL983031 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL28168897 | 0.96 | ADH1B (0.44) | ADH1BADH1AADH1CADH4ADH7 | |
| SCHEMBL27533247 | 0.91 | — | — | |
| SCHEMBL27925027 | 0.91 | — | — | |
| SCHEMBL980593 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL28147292 | 0.89 | ADH1B (0.41) | ADH1BADH1AADH1CADH4ADH7 | |
| Hydrochloric Acid SCHEMBL28261599 | 0.89 | — | — | |
| SCHEMBL3526133 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL29288170 | 0.77 | — | — |
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-107735399-A | The big ring of chiral diaryl as the conditioning agent of protein kinase | TP生物医药公司 | 2018-02-23 | — | — | CN | disclosed |