Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GPR3 | P46089 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPRT1 | P00492 | 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 | |
|---|---|---|---|---|
| SCHEMBL20004029 | 0.77 | TDP1 (0.37) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL13183713 | 0.72 | ELANE (0.39) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL6001561 | 0.67 | ALDH1A1 (0.38) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL547450 | 0.64 | PTPN1 (0.39) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL4079696 | 0.64 | CYP2A6 (0.42) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL2008998 | 0.64 | ALDH1A1 (0.42) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL286416 | 0.64 | ALDH1A1 (0.39) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL1097671 | 0.64 | CYP2A6 (0.42) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL1605255 | 0.64 | ALDH1A1 (0.39) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL21179481 | 0.64 | ALDH1A1 (0.39) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 |
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-104725172-B | A kind of synthetic method of aryl thioethers class compound | 华东师范大学 | 2017-03-01 | — | — | CN | disclosed |
| CN-104725172-A | Synthetic method of aryl sulfide type compound | UNIV EAST CHINA NORMAL | 2015-06-24 | — | — | CN | disclosed |