Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 9/20 | 0.62 |
| ▸ | HSD17B2 | P37059 | 9/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | MGLL | Q99685 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Pentane SCHEMBL28008464 | 0.92 | HSD17B1 (0.73) | HSD17B1HSD17B2CYP3A4CYP2C9MGLL | |
| Propane SCHEMBL5843489 | 0.88 | HSD17B1 (0.71) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 | |
| Alcohol SCHEMBL9461730 | 0.86 | HSD17B1 (0.68) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 | |
| Alcohol SCHEMBL23879308 | 0.84 | HSD17B1 (0.65) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 | |
| Resorcinol SCHEMBL23248736 | 0.83 | CYP3A4 (0.63) | CYP3A4CA12ALDH1A1CA2LMNA | |
| SCHEMBL29551999 | 0.83 | HSD17B1 (0.88) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 | |
| SCHEMBL69369 | 0.83 | HSD17B1 (0.88) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 | |
| Propane SCHEMBL27565820 | 0.82 | HSD17B1 (0.70) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 | |
| Alcohol SCHEMBL23879306 | 0.82 | HSD17B1 (0.62) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 | |
| SCHEMBL28352089 | 0.80 | PTGS2 (0.61) | HSD17B1HSD17B2CYP3A4CYP2C9MGLL |
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-102821860-B | Process for assembling elements contacting biological substances | OLIVETTI PERSONAL COMP SPA | 2015-04-08 | — | — | CN | disclosed |