Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8488661 | 0.89 | IDO1 (0.39) | HSD17B10IDO1CYP2C9CYP2C19 | |
| SCHEMBL9018796 | 0.89 | NR1H2 (0.50) | NR1H2HSD17B10CYP3A4ALOX15HIF1A | |
| SCHEMBL8488666 | 0.79 | HPGD (0.38) | MEN1ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL8487536 | 0.77 | HTT (0.47) | HSD17B10ALOX15CA12ALDH1A1CA1 | |
| SCHEMBL8779795 | 0.76 | CYP2C9 (0.37) | HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL8484321 | 0.76 | CHRNA7 (0.39) | HSD17B10CYP3A4ALDH1A1MAPTHPGD | |
| SCHEMBL15932963 | 0.75 | NR1H2 (0.74) | NR1H2HSD17B10CYP3A4ALOX15HIF1A | |
| SCHEMBL11171221 | 0.75 | NR1H2 (0.50) | NR1H2HSD17B10CYP3A4ALOX15HIF1A | |
| SCHEMBL8489011 | 0.75 | MAOB (0.44) | CA12ALDH1A1CA2CA3CA9 | |
| SCHEMBL62871 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5932731-A | HYDROLYZING A HETEROAROMATIC HALOGENATED METHYL SULFIDE IN PRESENCE OF AN ACID | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 1999-08-03 | — | — | US | disclosed |