Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11454721 | 0.87 | CA1 (0.39) | KDM4EACHEHTR2BPDE4D | |
| SCHEMBL11116352 | 0.81 | CYP3A4 (0.47) | CYP3A4HSD17B10MAPK1 | |
| SCHEMBL11246410 | 0.79 | IGF1R (0.39) | KDM4ECYP3A4ALDH1A1HPGDHSD17B10 | |
| SCHEMBL11115904 | 0.78 | ACHE (0.55) | ACHE | |
| SCHEMBL10957339 | 0.77 | KDM4E (0.62) | KDM4ECYP3A4ACHEABCB1FAAH | |
| SCHEMBL14939628 | 0.77 | KDM4E (0.50) | KDM4EACHEALDH1A1HPGDHSD17B10 | |
| SCHEMBL11117983 | 0.77 | ACHE (0.65) | KDM4ECYP3A4ACHEALDH1A1HPGD | |
| SCHEMBL11112654 | 0.73 | GRM2 (0.51) | ACHEALDH1A1HTR2B | |
| SCHEMBL11115689 | 0.73 | GRM2 (0.43) | KDM4EACHEALDH1A1BCHE | |
| SCHEMBL11008271 | 0.73 | CYP3A4 (0.47) | CYP3A4HSD17B10MAPK1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0438796-B1 | Process for the enantioselection synthesis of alkylated oxindoles used as intermediates in the preparation of physostigmine | HOECHST MARION ROUSSEL INC (US) | 1998-08-26 | — | — | EP | disclosed |
| US-5093498-A | Trifluoromethylbenzyl containing quaternary salts | MERCK & CO., INC. (US) | 1992-03-03 | — | — | US | disclosed |
| US-4578509-A | Process for preparing a manipulated enantiomer mixture by asymmetric chiral phase transfer catalysis | MERCK & CO., INC. (US) | 1986-03-25 | — | — | US | disclosed |
| EP-0121872-A1 | Process for preparing a manipulated enantiomer mixture by asymmetric chiral phase transfer catalysis | MERCK & CO. INC. (US) | 1984-10-17 | — | — | EP | disclosed |
| EP-0027948-B1 | TETRAHYDRO-FLUORENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | MERCK & CO. INC. (US) | 1984-03-21 | — | — | EP | disclosed |
| US-4356314-A | [5,6,9A-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids, their analogs, esters, salts, and derivatives | MERCK & CO., INC. (US) | 1982-10-26 | — | — | US | disclosed |
| US-4356313-A | [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acid esters and their analogs, the parent acids and their salts | MERCK & CO., INC. (US) | 1982-10-26 | — | — | US | disclosed |
| US-4337354-A | BRAIN AND SPINAL CHORD DAMAGE | MERCK & CO., INC. (US) | 1982-06-29 | — | — | US | disclosed |
| US-4334088-A | 2-Alkynyl-5-indanyloxyacetic acids | MEAD JOHNSON & COMPANY (US) | 1982-06-08 | — | — | US | disclosed |
| US-4317922-A | [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids and their analogs, esters, salts and derivatives | MERCK & CO., INC. (US) | 1982-03-02 | — | — | US | disclosed |
| US-4316043-A | ANTIEDEMIC AGENTS | MERCK & CO., INC. (US) | 1982-02-16 | — | — | US | disclosed |
| US-4291168-A | DIURETICS | MEAD JOHNSON & COMPANY (US) | 1981-09-22 | — | — | US | disclosed |
| EP-0027948-A1 | Tetrahydro-fluorene compounds, processes for their preparation and pharmaceutical compositions thereof | MERCK & CO. INC. (US) | 1981-05-06 | — | — | EP | disclosed |
| US-4247715-A | BIURETICS | MEAD JOHNSON & COMPANY (US) | 1981-01-27 | — | — | US | disclosed |
| US-4182764-A | DIURETIC, URICOSURIC | MERCK & CO., INC. (US) | 1980-01-08 | — | — | US | disclosed |
| US-4177285-A | DIURETICS, HYPOTENSIVES | MERCK & CO., INC. (US) | 1979-12-04 | — | — | US | disclosed |
| US-4096267-A | (1-Oxo-2-aryl or thienyl-2-substituted-5-indanyloxy (or thio) alkanoic acids, and derivatives thereof | MERCK & CO., INC. (US) | 1978-06-20 | — | — | US | disclosed |
| US-3984552-A | 6-Oxo-7-substituted and 7,7-disubstituted-6H-indeno-[5,4-b]furan (and thiophene) carboxylic acids | MERCK & CO., INC. (US) | 1976-10-05 | — | — | US | disclosed |