Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL448921 | 1.00 | SLC6A2 (0.57) | SLC6A2SLC6A3SLC6A4ACACBTRPA1 | |
| SCHEMBL1219827 | 0.83 | ESR1 (0.45) | ACACBTRPA1IDO1LMNA | |
| SCHEMBL20610522 | 0.83 | ESR1 (0.45) | ACACBTRPA1IDO1LMNA | |
| SCHEMBL114824 | 0.82 | PTGS1 (0.48) | TRPA1LMNA | |
| SCHEMBL14884591 | 0.81 | CHKA (0.44) | SLC6A2SLC6A3TRPA1TAAR1 | |
| SCHEMBL358607 | 0.80 | TAAR1 (0.59) | SLC6A2TRPA1ALDH1A1MEN1KMT2A | |
| SCHEMBL8293621 | 0.80 | TRPA1 (0.44) | SLC6A2ACACBTRPA1IDO1TAAR1 | |
| SCHEMBL12197642 | 0.80 | TRPA1 (0.44) | SLC6A2ACACBTRPA1IDO1TAAR1 | |
| SCHEMBL13165983 | 0.80 | SLC6A2 (0.59) | SLC6A2SLC6A3SLC6A4ACACBPPARG | |
| SCHEMBL8056894 | 0.80 | TAAR1 (0.59) | SLC6A2TRPA1ALDH1A1MEN1KMT2A |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5072037-A | Aldol condensation, hydrogenation, dehydration, hydroformylati on, oxidation; purity, by-product inhibition, pollution contro l | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-12-10 | — | — | US | claimed |
| EP-0436860-A1 | Process for the preparation of 2-(4-chlorophenyl)-3-methyl-butanoic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-07-17 | — | — | EP | claimed |
| US-4474748-A | ANTIBIOTICS, FUNGICIDES, ANTISEPTICS | JOHNSON & JOHNSON (US) | 1984-10-02 | — | — | US | claimed |
| WO-2020017557-A1 | NOVEL COMPOUND AND USE THEREOF | 国立研究開発法人理化学研究所 | 2020-01-23 | — | — | WO | disclosed |
| CN-105218456-B | A kind of method of industrialized production Butoconazole Nitrate | 株洲千金药业股份有限公司 | 2018-07-03 | — | — | CN | disclosed |
| CN-105198816-B | A kind of method of industrialized production Butoconazole Nitrate | 株洲千金药业股份有限公司 | 2018-05-01 | — | — | CN | disclosed |
| US-9944624-B2 | Substituted amino triazoles useful as human chitinase inhibitors | Oncoarendi Therapeutics S.A. (PL) | 2018-04-17 | — | — | US | disclosed |
| CN-105175338-B | A kind of method of industrialized production Butoconazole Nitrate intermediate | 株洲千金药业股份有限公司 | 2018-03-23 | — | — | CN | disclosed |
| CN-105198818-B | A kind of method of industrialized production Butoconazole Nitrate | 株洲千金药业股份有限公司 | 2018-03-20 | — | — | CN | disclosed |
| CN-105198814-B | A kind of method of industrialized production Butoconazole Nitrate intermediate | 株洲千金药业股份有限公司 | 2018-03-20 | — | — | CN | disclosed |
| CN-105198817-B | A kind of method for industrializing nitric acid synthesis butoconazole intermediate | 株洲千金药业股份有限公司 | 2018-01-16 | — | — | CN | disclosed |
| US-5072037-A | Aldol condensation, hydrogenation, dehydration, hydroformylati on, oxidation; purity, by-product inhibition, pollution contro l | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-12-10 | — | — | US | disclosed |
| US-5072037-A | Aldol condensation, hydrogenation, dehydration, hydroformylati on, oxidation; purity, by-product inhibition, pollution contro l | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-12-10 | — | — | US | disclosed |
| EP-0436860-A1 | Process for the preparation of 2-(4-chlorophenyl)-3-methyl-butanoic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-07-17 | — | — | EP | disclosed |
| EP-0436860-A1 | Process for the preparation of 2-(4-chlorophenyl)-3-methyl-butanoic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-07-17 | — | — | EP | disclosed |
| US-4474748-A | ANTIBIOTICS, FUNGICIDES, ANTISEPTICS | JOHNSON & JOHNSON (US) | 1984-10-02 | — | — | US | disclosed |
| US-4321257-A | Potentiated medicaments | JOHNSON & JOHNSON (US) | 1982-03-23 | — | — | US | disclosed |
| US-4197318-A | CYCLOHEXYL SUBSTITUTED ALKANOLS AS POTENTIATORS | JOHNSON & JOHNSON (US) | 1980-04-08 | — | — | US | disclosed |
| US-4091090-A | PENETRANT ACCELERATOR COMPRISING CYCLOHEXYL-SUBSTITUTED ALKANOLS | JOHNSON & JOHNSON (US) | 1978-05-23 | — | — | US | disclosed |
| US-4006218-A | MICROBIOCIDE | JOHNSON & JOHNSON (US) | 1977-02-01 | — | — | US | disclosed |