Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.68 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.68 |
| ▸ | TACR2 | P21452 | 2/20 | 0.68 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.68 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.68 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | SHBG | P04278 | 1/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.68 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.68 |
| ▸ | HTR2C | P28335 | 1/20 | 0.68 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.68 |
| ▸ | TST | Q16762 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL3712436 | 1.00 | ESR1 (0.68) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL28716891 | 1.00 | ESR1 (0.68) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL6065362 | 1.00 | ESR1 (0.68) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL6686140 | 1.00 | ESR1 (0.68) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL10601543 | 1.00 | ESR1 (0.68) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL10863588 | 1.00 | ESR1 (0.68) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL8028871 | 1.00 | ESR1 (0.68) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL5389816 | 1.00 | ESR1 (0.68) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL1372465 | 0.97 | ESR1 (0.64) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL23849704 | 0.92 | ESR1 (0.77) | ESR1ADRA2AADORA3TACR2SLC6A2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116987045-A | Heteroatom-containing substituted benzoxazinone derivative and preparation method and application thereof | 中国医学科学院药物研究所 | 2023-11-03 | — | — | CN | claimed |
| CN-116987045-A | Heteroatom-containing substituted benzoxazinone derivative and preparation method and application thereof | 中国医学科学院药物研究所 | 2023-11-03 | — | — | CN | disclosed |
| WO-2016042493-A1 | PHARMACEUTICAL COMPOSITIONS OF FINGOLIMOD | AIZANT DRUG RESEARCH PVT. LTD (IN) | 2016-03-24 | — | — | WO | disclosed |
| WO-2014118556-A2 | SELECTIVE INHIBITORS AND ALLOSTERIC ACTIVATORS OF SPHINGOSINE KINASE | RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) | 2014-08-07 | — | — | WO | disclosed |
| EP-0985649-B1 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES (JP) | 2004-11-24 | — | — | EP | disclosed |
| US-6462248-B1 | THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS | TORAY INDUSTRIES, INC. (JP) | 2002-10-08 | — | — | US | disclosed |
| EP-0985649-A2 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES, INC. (JP) | 2000-03-15 | — | — | EP | disclosed |
| EP-0865823-A1 | Catalyst based on aluminium halide and its use in Friedel-Crafts alkylation of benzene using long chain olefins | CONTRACT CHEMICALS LIMITED (GB) | 1998-09-23 | — | — | EP | disclosed |
| US-5209867-A | Spontaneous polarization, ferroelectricity | SHARP KABUSHIKI KAISHA (JP) | 1993-05-11 | — | — | US | disclosed |
| US-4892962-A | FROM ALLYL DIFLUOROACETATES AND A MONOCHLORO=SILANE, ADDITION POLYMERS | CIBA-GEIGY CORPORATION (US) | 1990-01-09 | — | — | US | disclosed |
| CN-1032435-A | The phenyl trifluoromethyl ethers that replaces | MERCK PATENT GMBH (DE) | 1989-04-19 | — | — | CN | disclosed |
| EP-0273008-A2 | Process for the preparation of 2,2-difluoropent-4-ene-carboxylic acids and derivatives | CIBA-GEIGY AG (CH) | 1988-06-29 | — | — | EP | disclosed |
| US-3996193-A | POLYALKYLENEPOLYAMINES, DIOLEFIN RUBBER | THE DOW CHEMICAL COMPANY (US) | 1976-12-07 | — | — | US | disclosed |