Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6153900 | 0.81 | GRM5 (0.40) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL29910261 | 0.81 | GRM5 (0.40) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL14259743 | 0.75 | CYP19A1 (0.43) | ALDH1A1HSD17B10TSHRHIF1AMAPT | |
| SCHEMBL23074296 | 0.70 | OXTR (0.47) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL22362222 | 0.69 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL9327518 | 0.69 | HSD17B10 (0.41) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL3360447 | 0.65 | CYP2A6 (0.41) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL15291748 | 0.64 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL3071035 | 0.64 | HSD17B10 (0.44) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL9327588 | 0.64 | GAA (0.38) | ALDH1A1HSD17B10GAAMAPTMEN1 |
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-119072471-A | Pyrazole substituted cyclopentyl ester derivative and application thereof | 正大天晴药业集团股份有限公司 | 2024-12-03 | — | — | CN | disclosed |