Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| Acetic Acid Methyl Ester SCHEMBL27871275 | 0.82 | ALDH1A1 (0.42) | ALDH1A1CES2CES1CYP4F2CYP4A11 | |
| Acetic Acid SCHEMBL27478470 | 0.79 | CES2 (0.55) | ALDH1A1CES2CES1CYP4F2CYP4A11 | |
| SCHEMBL1995396 | 0.77 | CYP4F2 (0.69) | ALDH1A1CES2CES1CYP4F2CYP4A11 | |
| Fluorobenzene SCHEMBL28789208 | 0.77 | TSHR (0.48) | ALDH1A1SLC6A3SMN1; SMN2NPC1RAB9A | |
| SCHEMBL521670 | 0.77 | CA1 (0.58) | ALDH1A1CES2CES1CA12CA1 | |
| Methoxymethane SCHEMBL27837378 | 0.75 | CA12 (0.47) | ALDH1A1CES2CES1CA12CA1 | |
| Acetic Acid Methyl Ester SCHEMBL8322448 | 0.74 | ALDH1A1 (1.00) | ALDH1A1CA1KDM4E | |
| Acetic Acid Methyl Ester SCHEMBL3650 | 0.74 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL3080739 | 0.74 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28296965 | 0.74 | ALDH1A1 (1.00) | ALDH1A1CA1KDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107011326-B | Fungicidal pyrazoles compound | FMC公司 | 2019-11-12 | — | — | CN | disclosed |
| CN-106008299-B | It is used to prepare the intermediate of antifungal pyrazoles | 杜邦公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-106417305-A | Fungicidal pyrazoles and their mixtures | 杜邦公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106008299-A | Intermediate for preparing fungicidal pyrazoles | 杜邦公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-103140136-B9 | Fungicidal pyrazoles and mixtures thereof | 杜邦公司 | 2016-06-29 | — | — | CN | disclosed |
| CN-103140136-B | fungicidal pyrazoles and mixtures thereof | DUPONT (US) | 2016-05-11 | — | — | CN | disclosed |
| CN-103140136-A | Fungicidal pyrazoles and mixtures thereof | DU PONT | 2013-06-05 | — | — | CN | disclosed |