Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 2/20 | 0.58 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.58 |
| ▸ | CTSL | P07711 | 6/20 | 0.56 |
| ▸ | CTSV | O60911 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.49 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.49 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL28102561 | 1.00 | SRD5A1 (0.58) | SRD5A1SRD5A2CTSLCTSVHPGD | |
| SCHEMBL28017860 | 1.00 | SRD5A1 (0.58) | SRD5A1SRD5A2CTSLCTSVHPGD | |
| SCHEMBL28102494 | 0.86 | SLC16A3 (0.53) | SRD5A1SRD5A2CTSLCTSVHPGD | |
| SCHEMBL28102599 | 0.86 | P2RY14 (0.53) | SRD5A1SRD5A2CTSLCTSVHPGD | |
| SCHEMBL27933143 | 0.86 | SLC16A3 (0.53) | SRD5A1SRD5A2CTSLCTSVHPGD | |
| SCHEMBL28018447 | 0.86 | P2RY14 (0.53) | SRD5A1SRD5A2CTSLCTSVHPGD | |
| SCHEMBL16549385 | 0.83 | ALDH1A1 (0.56) | HPGDKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL7214919 | 0.82 | SRD5A1 (0.58) | SRD5A1SRD5A2CTSLCTSVHPGD | |
| SCHEMBL5615708 | 0.81 | KDM4E (0.63) | HPGDKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL8204331 | 0.80 | HPGD (0.72) | SRD5A1SRD5A2CTSLCTSVHPGD |
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-104672136-A | 1-substituted phenanthryl-N-alkyl (acyl)-6, 7-dimethoxy-1, 2, 3, 4-tetrahydroisoquinoline derivative as well as preparation method and purpose thereof | UNIV SHENYANG PHARMACEUTICAL | 2015-06-03 | — | — | CN | disclosed |