Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 5/20 | 0.33 |
| ▸ | ADH1C | P00326 | 4/20 | 0.33 |
| ▸ | ADH1B | P00325 | 2/20 | 0.33 |
| ▸ | ADH4 | P08319 | 2/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29957214 | 1.00 | NPC1 (0.40) | NPC1CA1CA2ADH1AADH1C | |
| SCHEMBL8598726 | 0.97 | — | — | |
| SCHEMBL9851143 | 0.87 | — | — | |
| SCHEMBL3720689 | 0.81 | NPC1 (0.42) | NPC1 | |
| SCHEMBL10737283 | 0.79 | NPC1 (0.41) | NPC1 | |
| SCHEMBL27446381 | 0.79 | CYP2C19 (0.30) | CYP2C19 | |
| SCHEMBL23798936 | 0.76 | — | — | |
| SCHEMBL29951010 | 0.76 | NPC1 (0.47) | NPC1CA1CA2ADH1AADH1C | |
| SCHEMBL14952753 | 0.76 | CYP19A1 (0.31) | — | |
| SCHEMBL7816991 | 0.76 | — | — |
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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2594626-A1 | Use of oxyacetaldehyde as lily of the valley fragrance | Symrise AG (DE) | 2013-05-22 | — | — | EP | claimed |
| EP-0416361-A1 | N-(5-alkyl thiophenyl)-nitrogenheterocycles | BAYER AG (DE) | 1991-03-13 | — | — | EP | claimed |
| WO-2023083295-A1 | ESTER DERIVATIVES OF N4-HYDROXYCYTIDINE AND USE THEREOF | SUZHOU SPRING-SEA BIO-PHARMACEUTICALS CO., LTD. (CN) | 2023-05-19 | — | — | WO | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| CN-112898309-A | Tricyclic compounds as immunomodulators | 正大天晴药业集团股份有限公司 | 2021-06-04 | — | — | CN | disclosed |
| CN-108884103-B | Tricyclic compounds as immunomodulators | 正大天晴药业集团股份有限公司 | 2021-01-15 | — | — | CN | disclosed |
| EP-3418282-A1 | TRICYCLIC COMPOUND SERVING AS IMMUNOMODULATOR | Chai Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2018-12-26 | — | — | EP | disclosed |
| WO-2017140274-A1 | TRICYCLIC COMPOUND SERVING AS IMMUNOMODULATOR | 正大天晴药业集团股份有限公司 | 2017-08-24 | — | — | WO | disclosed |
| EP-2867207-B1 | PHENOXYETHYL PIPERIDINE COMPOUNDS | LILLY CO ELI (US) | 2017-08-09 | — | — | EP | disclosed |
| EP-2867207-B1 | PHENOXYETHYL PIPERIDINE COMPOUNDS | LILLY CO ELI (US) | 2017-08-09 | — | — | EP | disclosed |
| US-9402838-B2 | Phenoxyethyl piperidine compounds | ELI LILLY AND COMPANY (US) | 2016-08-02 | — | — | US | disclosed |
| WO-2000040547-A1 | α-SUBSTITUTION OF UNPROTECTED β-AMINO ESTER COMPOUNDS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 2000-07-13 | — | — | WO | disclosed |
| WO-2000039087-A2 | SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 2000-07-06 | — | — | WO | disclosed |
| US-5852023-A | Cyclohexylamino and cycloalkoxy nitrogen heterocycles, processes for their preparation, and their use as pesticides and fungicides | HOECHST SCHERING AGREVO GMBH (DE) | 1998-12-22 | — | — | US | disclosed |
| WO-1998050030-A1 | INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES | UNIVERSITY OF PITTSBURGH (US) | 1998-11-12 | — | — | WO | disclosed |
| EP-0859765-A1 | PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1998-08-26 | — | — | EP | disclosed |
| EP-0850227-A1 | PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-07-01 | — | — | EP | disclosed |
| EP-0850229-A1 | PYRIMIDIN-4-ONE DERIVATIVES, THEIR USE AS HERBICIDES, INTERMEDIATES FOR THEIR PRODUCTION AND PROCESSES FOR PRODUCING THESE COMPOUNDS | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1998-07-01 | — | — | EP | disclosed |
| US-5691321-A | INSECTICIDES, MITICIDES, PARASITICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1997-11-25 | — | — | US | disclosed |
| WO-1997011060-A1 | PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-03-27 | — | — | WO | disclosed |