Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.58 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.58 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.58 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.58 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.58 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.58 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | FBP1 | P09467 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9782852 | 1.00 | ALDH1A1 (0.63) | ALDH1A1TSHRHDAC3HDAC4HDAC1 | |
| SCHEMBL2815007 | 0.80 | ALDH1A1 (0.65) | ALDH1A1TSHRHDAC3HDAC4HDAC1 | |
| SCHEMBL2940976 | 0.80 | ALDH1A1 (0.65) | ALDH1A1TSHRHDAC3HDAC4HDAC1 | |
| SCHEMBL28141273 | 0.80 | ALDH1A1 (0.65) | ALDH1A1TSHRCYP2C9PTGS2MAOB | |
| SCHEMBL3686386 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TSHRPTGS2NPC1LMNA | |
| SCHEMBL3686385 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TSHRPTGS2NPC1LMNA | |
| SCHEMBL13613850 | 0.78 | ALDH1A1 (0.63) | ALDH1A1TSHRHDAC3HDAC4HDAC1 | |
| SCHEMBL13458529 | 0.78 | ALDH1A1 (0.63) | ALDH1A1TSHRTRPA1CYP2C9CYP1A2 | |
| SCHEMBL21294252 | 0.78 | ALDH1A1 (0.63) | ALDH1A1TSHRHDAC3HDAC4HDAC1 | |
| SCHEMBL3546068 | 0.78 | ALDH1A1 (0.63) | ALDH1A1TSHRTRPA1CYP2C9CYP1A2 |
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 15 patents. 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 |
| JP-4253935-A | — | — | None | — | — | JP | disclosed |
| WO-2009048152-A2 | UNSATURATED IMINE COMPOUND AND USE THEREOF FOR PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-04-16 | — | — | WO | disclosed |
| JP-H04253935-A | PRODUCTION OF 2-(4-CHLORPHENYL)-3-METHYLBUTYRIC ACID | HOECHST AG | 1992-09-09 | — | — | JP | 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 |
| EP-0071175-B1 | PHENYLALKYLOXIRANE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1986-03-12 | — | — | EP | disclosed |
| EP-0071175-A2 | Phenylalkyloxirane-carboxylic acids, process for their preparation, their use and medicines containing them | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1983-02-09 | — | — | EP | disclosed |
| WO-1983000334-A1 | PHENYLALKYLOXIRANE CARBOXYLIC ACIDS, PREPARATION AND THERAPEUTICAL USE | KOHL, BERNHARD | 1983-02-03 | — | — | WO | disclosed |
| US-4087549-A | Sulphonic acid containing indenyl derivatives | MERCK & CO., INC. (US) | 1978-05-02 | — | — | US | disclosed |
| US-4012377-A | ANTIMICROBIAL, PARASITICIDES | GLAXO LABORATORIES LIMITED (EN) | 1977-03-15 | — | — | US | disclosed |
| US-4009170-A | 1-Ethoxy-3,4-dihydroisoquindines | STERLING DRUG INC. (US) | 1977-02-22 | — | — | US | disclosed |