Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ICMT | O60725 | 1/20 | 0.51 |
| ▸ | ALB | P02768 | 1/20 | 0.51 |
| ▸ | SOAT2 | O75908 | 1/20 | 0.51 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hexanoate SCHEMBL28333349 | 0.95 | SOAT2 (0.57) | ALDH1A1NPSR1MEN1KMT2AEPHX1 | |
| Hexane SCHEMBL28335623 | 0.89 | ALDH1A1 (0.66) | ALDH1A1NPSR1GAAMEN1KMT2A | |
| Decane SCHEMBL28485199 | 0.87 | EPHX1 (0.67) | ALDH1A1NPSR1GAAMEN1KMT2A | |
| Undecane SCHEMBL28335641 | 0.87 | EPHX1 (0.67) | ALDH1A1NPSR1GAAMEN1KMT2A | |
| Heptane SCHEMBL28333277 | 0.87 | EPHX1 (0.67) | ALDH1A1NPSR1GAAMEN1KMT2A | |
| Ethyl Phenylcarbamate SCHEMBL28333243 | 0.85 | RAB9A (0.60) | ALDH1A1NPSR1GAAMEN1KMT2A | |
| Diphenylamine SCHEMBL21145098 | 0.85 | ALDH1A1 (0.59) | ALDH1A1NPSR1GAAMEN1KMT2A | |
| Butane SCHEMBL28335627 | 0.85 | ALDH1A1 (0.59) | ALDH1A1NPSR1GAAMEN1KMT2A | |
| Propane SCHEMBL28986145 | 0.82 | NAPRT (0.60) | ALDH1A1NPSR1GAAMEN1KMT2A | |
| Stearic Acid SCHEMBL9469601 | 0.82 | ALDH1A1 (0.56) | ALDH1A1GAAMEN1KMT2AEPHX1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112020493-B | Method for producing urethane and method for producing isocyanate | 旭化成株式会社 | 2023-04-21 | — | — | CN | disclosed |
| CN-114728892-A | Method for producing isocyanate | 旭化成株式会社 | 2022-07-08 | — | — | CN | disclosed |
| CN-110546135-B | Method for producing isocyanate | 旭化成株式会社 | 2021-12-14 | — | — | CN | disclosed |
| CN-112020493-A | Method for producing carbamate and method for producing isocyanate | 旭化成株式会社 | 2020-12-01 | — | — | CN | disclosed |