Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 1/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20089259 | 0.84 | VCP (0.55) | VCPFFAR1ACACBCA12CA1 | |
| SCHEMBL670335 | 0.82 | VCP (0.58) | VCPFFAR1ACACBCA12CA1 | |
| SCHEMBL3559002 | 0.80 | GSK3B (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL14126185 | 0.80 | VCP (0.52) | VCPFFAR1ACACBCA12CA1 | |
| SCHEMBL22905187 | 0.80 | APP (0.53) | FFAR1CA1CA2ALDH1A1GRM5 | |
| SCHEMBL6781061 | 0.80 | VCP (0.52) | VCPFFAR1ACACBCA12CA1 | |
| SCHEMBL4487823 | 0.80 | ACACB (0.46) | FFAR1ACACBALDH1A1GRM5SMN1; SMN2 | |
| SCHEMBL28722702 | 0.80 | ACACB (0.46) | FFAR1ACACBCA1CA2ALDH1A1 | |
| 4-Phenyl-3-Butyn-2-One SCHEMBL433104 | 0.79 | NPSR1 (0.61) | VCPFFAR1ALDH1A1MEN1RAB9A | |
| SCHEMBL25749196 | 0.78 | VCP (0.82) | VCPALDH1A1MEN1KMT2ALMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114409501-B | Method for preparing propargyl alcohol compound by taking pinacol borane as hydrogen source | 云南民族大学 | 2024-05-10 | — | — | CN | disclosed |
| CN-114409501-A | Method for preparing propargyl alcohol compound by taking pinacol borane as hydrogen source | 云南民族大学 | 2022-04-29 | — | — | CN | disclosed |
| EP-3166925-B1 | ISOINDOLINE DERIVATIVES FOR USE IN THE TREATMENT OF A VIRAL INFECTION | VIIV HEALTHCARE UK LTD (GB) | 2018-03-14 | — | — | EP | disclosed |
| WO-2017093937-A1 | ISOINDOLINE DERIVATIVES | VIIV HEALTHCARE UK LIMITED (GB) | 2017-06-08 | — | — | WO | disclosed |
| EP-1741693-B1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS | NAGOYA IND SCIENCE RES INST (JP) | 2011-08-03 | — | — | EP | disclosed |
| EP-1741693-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS | Nagoya Industrial Science Research Institute (JP) | 2007-01-10 | — | — | EP | disclosed |