Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 5/20 | 0.61 |
| ▸ | RXRA | P19793 | 2/20 | 0.55 |
| ▸ | RXRB | P28702 | 2/20 | 0.55 |
| ▸ | RXRG | P48443 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.50 |
| ▸ | BAD | Q92934 | 1/20 | 0.50 |
| ▸ | TPMT | P51580 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28623095 | 0.84 | SRD5A2 (0.57) | SRD5A2EPHX2PTPN1CES2CES1 | |
| SCHEMBL78879 | 0.81 | SRD5A2 (0.87) | SRD5A2RXRARXRBRXRGTP53 | |
| SCHEMBL3365796 | 0.81 | TSHR (0.60) | SRD5A2TP53TSHRTPMTEPHX2 | |
| SCHEMBL4614343 | 0.81 | SRD5A2 (0.65) | SRD5A2RXRARXRBRXRGTP53 | |
| SCHEMBL1330891 | 0.81 | SRD5A2 (0.87) | SRD5A2RXRARXRBRXRGTP53 | |
| Terephthalic Acid SCHEMBL28728915 | 0.80 | TSHR (0.67) | SRD5A2RXRARXRBRXRGTP53 | |
| SCHEMBL505133 | 0.80 | SRD5A2 (0.77) | SRD5A2RXRARXRBRXRGBCL2L1 | |
| SCHEMBL23521062 | 0.79 | SRD5A2 (0.83) | SRD5A2RXRARXRBRXRGTP53 | |
| SCHEMBL1042428 | 0.79 | SRD5A2 (0.83) | SRD5A2RXRARXRBRXRGTP53 | |
| SCHEMBL29208531 | 0.79 | SRD5A2 (0.83) | SRD5A2RXRARXRBRXRGTP53 |
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-104341425-B | Deuterated acetylene-derivative, its pharmaceutical composition and application | 上海医药集团股份有限公司 | 2018-11-02 | — | — | CN | disclosed |
| CN-103420977-B | There is the acetylene-derivative of anti-tumor activity | 上海医药集团股份有限公司 | 2016-06-22 | — | — | CN | disclosed |