Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.37 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11548872 | 0.85 | ESR2 (0.50) | ESR2TAAR1ADORA3ADORA2AADORA2B | |
| SCHEMBL11549319 | 0.85 | MAPT (0.41) | FFAR1MAPTCYP17A1 | |
| SCHEMBL11551942 | 0.83 | PGR (0.46) | ESR2TAAR1FFAR1MAPTDCLRE1B | |
| SCHEMBL11549292 | 0.83 | MAPT (0.38) | MAPTCTSSCTSK | |
| SCHEMBL11548880 | 0.80 | NPC1 (0.39) | FFAR1MAPTMGLL | |
| SCHEMBL11550517 | 0.76 | MAPT (0.41) | MAPT | |
| SCHEMBL11551589 | 0.76 | MAPT (0.41) | MAPT | |
| SCHEMBL11549658 | 0.76 | MAPT (0.42) | MAPTGRIA2GRIA4CTSLCTSB | |
| SCHEMBL11548937 | 0.75 | ESR2 (0.45) | ESR2TAAR1FFAR1PTPN1CTSL | |
| SCHEMBL11048323 | 0.73 | MAPT (0.64) | FFAR1MAPTCYP3A4 |
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 |