Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | ICMT | O60725 | 1/20 | 0.59 |
| ▸ | ALB | P02768 | 1/20 | 0.59 |
| ▸ | SOAT2 | O75908 | 1/20 | 0.59 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.59 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | NAAA | Q02083 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL28333277 | 1.00 | EPHX1 (0.67) | EPHX1ALDH1A1HTTNPSR1ICMT | |
| Decane SCHEMBL28485199 | 1.00 | EPHX1 (0.67) | EPHX1ALDH1A1HTTNPSR1ICMT | |
| Hexane SCHEMBL28335623 | 0.98 | ALDH1A1 (0.66) | EPHX1ALDH1A1HTTNPSR1ICMT | |
| Butane SCHEMBL28335627 | 0.90 | ALDH1A1 (0.59) | EPHX1ALDH1A1HTTNPSR1TRPV1 | |
| Hexanoate SCHEMBL28333349 | 0.89 | SOAT2 (0.57) | EPHX1ALDH1A1HTTNPSR1ICMT | |
| Propane SCHEMBL28986145 | 0.87 | NAPRT (0.60) | EPHX1ALDH1A1NPSR1NAPRTHSD17B10 | |
| Valeric Acid SCHEMBL28488681 | 0.87 | ALDH1A1 (0.58) | EPHX1ALDH1A1HTTNPSR1ICMT | |
| Alcohol SCHEMBL27965507 | 0.85 | NAPRT (0.58) | EPHX1ALDH1A1NPSR1NAPRTHSD17B10 | |
| SCHEMBL541399 | 0.83 | SOAT2 (0.82) | ALDH1A1ICMTALBSOAT2SOAT1 | |
| SCHEMBL8743011 | 0.83 | SOAT2 (0.82) | ALDH1A1ICMTALBSOAT2SOAT1 |
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-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 |
| CN-110546135-A | Method for producing isocyanate | ASAHI CHEMICAL IND | 2019-12-06 | — | — | CN | disclosed |