Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11550786 | 0.85 | ESR2 (0.45) | ESR2TAAR1ADORA3ADORA2AADORA2B | |
| SCHEMBL11550210 | 0.83 | TNIK (0.45) | ASIC3FFAR1HTTCYP17A1TNIK | |
| SCHEMBL11548830 | 0.81 | PGR (0.50) | ESR2TAAR1ASIC3FFAR1 | |
| SCHEMBL11549060 | 0.81 | ASIC3 (0.42) | ASIC3HTTTNIKCYP1A1CYP1A2 | |
| SCHEMBL11548937 | 0.80 | ESR2 (0.45) | ESR2TAAR1PTPN1FFAR1 | |
| SCHEMBL17616893 | 0.79 | ASIC3 (0.43) | ASIC3HTTTNIKCYP1A1CYP1A2 | |
| SCHEMBL11550510 | 0.78 | HAO1 (0.43) | ASIC3FFAR1HTT | |
| SCHEMBL700507 | 0.77 | HTT (0.46) | ASIC3FFAR1HTTTNIK | |
| SCHEMBL12391039 | 0.75 | ASIC3 (0.50) | ASIC3HTTMAP3K14 | |
| SCHEMBL12711693 | 0.74 | MMP3 (0.47) | ESR2ASIC3HTTCYP3A4 |
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-4151294-A | Alkynols and process for their preparation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-04-24 | — | — | US | disclosed |