Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.51 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 2/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1180286 | 0.83 | HSD17B1 (0.56) | HSD17B1HSD17B2LMNAMAPTKDM4E | |
| SCHEMBL1180161 | 0.81 | HSD17B1 (0.52) | HSD17B1HSD17B2LMNAMAPTKDM4E | |
| SCHEMBL1181055 | 0.79 | ABL1 (0.53) | HSD17B1HSD17B2DYRK1ACLK4ALDH1A1 | |
| SCHEMBL4947340 | 0.78 | CNR1 (0.50) | HSD17B1HSD17B2LMNAMAPTKDM4E | |
| SCHEMBL23452051 | 0.78 | HSD17B1 (0.49) | HSD17B1HSD17B2LMNAMAPTKDM4E | |
| SCHEMBL1180026 | 0.77 | ABL1 (0.54) | HSD17B1HSD17B2DYRK1ACLK4ALDH1A1 | |
| SCHEMBL28529154 | 0.76 | ENPP2 (0.56) | HSD17B1HSD17B2LMNAMAPTKDM4E | |
| SCHEMBL29742784 | 0.75 | HSD17B1 (0.67) | HSD17B1HSD17B2LMNAMAPTALDH1A1 | |
| SCHEMBL28635415 | 0.75 | HSD17B1 (0.67) | HSD17B1HSD17B2LMNAMAPTALDH1A1 | |
| SCHEMBL12093643 | 0.75 | HDAC6 (0.55) | HSD17B1HSD17B2MAPTTDP1CNR1 |
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-112218878-A | NTCP inhibitors | 北京生命科学研究所 | 2021-01-12 | — | — | CN | disclosed |