Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6695939 | 0.79 | CYP2D6 (0.44) | CYP2D6CA12CA1CA2CA3 | |
| SCHEMBL1892536 | 0.76 | CYP2D6 (0.38) | CYP2D6CA12CA1CA2CA7 | |
| SCHEMBL28218905 | 0.74 | CYP1A2 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8523124 | 0.74 | CYP2D6 (0.36) | CYP2D6HSD17B10CYP1A2ALDH1A1KDM4E | |
| SCHEMBL8522704 | 0.74 | CYP2D6 (0.36) | CYP2D6HSD17B10CYP1A2ALDH1A1KDM4E | |
| SCHEMBL29010655 | 0.74 | CA1 (0.33) | CA1CA2ALDH1A1KDM4EHPGD | |
| SCHEMBL195812 | 0.72 | CYP1A2 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9845621 | 0.71 | CYP2D6 (0.46) | CYP2D6CA12CA1CA2CA7 | |
| SCHEMBL8879805 | 0.71 | CYP1A2 (0.58) | CA12CA1CA2CA4CA6 | |
| SCHEMBL30776108 | 0.69 | CYP1A2 (0.41) | CA1CA2CYP1A2ALDH1A1ERN1 |
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-115990171-A | Polymeric bile acid derivatives inhibit hepatitis b virus and hepatitis delta virus and NTCP transport | 华辉安健（北京）生物科技有限公司 | 2023-04-21 | — | — | CN | claimed |
| CN-115990171-A | Polymeric bile acid derivatives inhibit hepatitis b virus and hepatitis delta virus and NTCP transport | 华辉安健（北京）生物科技有限公司 | 2023-04-21 | — | — | CN | disclosed |