Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL29483754 | 1.00 | ALDH1A1 (0.34) | ALDH1A1TSHRTDP1CYP3A4CA2 | |
| Hexamethylbenzene SCHEMBL28232121 | 0.94 | CYP3A4 (0.38) | ALDH1A1TSHRTDP1CYP3A4 | |
| SCHEMBL6831708 | 0.87 | GABRA1 (0.35) | ALDH1A1TSHRTDP1CYP3A4GABRA1 | |
| SCHEMBL11038317 | 0.85 | CYP3A4 (0.33) | CYP3A4CA2GABRA1GABRB2 | |
| SCHEMBL6704455 | 0.84 | CYP3A4 (0.47) | ALDH1A1TDP1CYP3A4GABRA1GABRB2 | |
| SCHEMBL7096568 | 0.82 | CYP3A4 (0.41) | ALDH1A1TSHRCYP3A4CA2GABRA1 | |
| SCHEMBL31485790 | 0.82 | CYP3A4 (0.41) | ALDH1A1TSHRCYP3A4CA2GABRA1 | |
| SCHEMBL10897571 | 0.82 | ALDH1A1 (0.36) | ALDH1A1TSHRTDP1CYP3A4CA2 | |
| SCHEMBL1348520 | 0.81 | ALDH1A1 (0.34) | ALDH1A1TSHRTDP1 | |
| SCHEMBL21117 | 0.80 | MEN1 (0.30) | — |
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
Appears in 2797 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120137139-A | Bis (1-isocyanato-1-methylethyl) benzene composition and preparation method and application thereof | 万华化学集团股份有限公司 | 2025-06-13 | — | — | CN | claimed |
| CN-109642010-A | The synthetic method of poly- Oxazolidinone compound | 科思创德国股份有限公司 | 2019-04-16 | — | — | CN | claimed |
| CN-109244543-A | A kind of lithium-ion battery electrolytes and lithium ion battery | 南通新宙邦电子材料有限公司 | 2019-01-18 | — | — | CN | claimed |
| EP-2853527-B1 | NOVEL METHOD FOR PREPARING POLYTHIOL COMPOUND AND POLYMERIC COMPOSITION FOR OPTICAL MATERIAL COMPRISING SAME | KOC SOLUTION CO LTD (KR) | 2018-09-19 | — | — | EP | claimed |
| EP-2660260-B1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2018-09-12 | — | — | EP | claimed |
| US-10011734-B2 | Coated film | MITSUBISHI CHEMICAL CORPORATION (JP) | 2018-07-03 | — | — | US | claimed |
| US-9994667-B2 | Polythiourethane-based casting resin having high fracture resistance and low specific weight | Bruno Bock Chemische Fabrik GmbH and Co. KG (DE) | 2018-06-12 | — | — | US | claimed |
| US-9522879-B2 | Method for preparing polythiol compound and polymeric composition for optical material comprising same | KOC SOLUTION CO., LTD (KR) | 2016-12-20 | — | — | US | claimed |
| EP-3080180-A1 | POLYURETHANE UREA-CONTAINING COMPOSITIONS AND OPTICAL ARTICLES AND METHODS FOR PREPARING THEM | PPG Industries Ohio, Inc. (US) | 2016-10-19 | — | — | EP | claimed |
| EP-2801586-B1 | Casting resin on a polythiourethane basis with high tensile strength and low specific weight | BRUNO BOCK CHEM FAB GMBH & CO KG (DE) | 2016-04-13 | — | — | EP | claimed |
| US-4791185-A | POLYTHIOURETHANES BASED ON TRIMERCAPTO ALKYLENE ISOCYANURATES; HEAT RESISTANCE; WORKABILITY | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1988-12-13 | — | — | US | claimed |
| US-4748200-A | Thermosetting resins and electrodeposition coating compositions containing the same | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-05-31 | — | — | US | claimed |
| US-4731415-A | BIURETS FROM A,A,A*,A*-TETRAMETHYLXYLYLENE DIISOCYANATE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-03-15 | — | — | US | claimed |
| EP-0197543-A2 | Polyisocyanates and resin compositions thereof | Takeda Chemical Industries, Ltd. (JP) | 1986-10-15 | — | — | EP | claimed |
| US-4617349-A | PAINTS, COATINGS; QUICK-DRYING | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1986-10-14 | — | — | US | claimed |
| EP-0180873-A2 | Urethane resin compositions | Takeda Chemical Industries, Ltd. (JP) | 1986-05-14 | — | — | EP | claimed |
| EP-0164491-A1 | Process for the preparation of tertiary aralkyl urethanes and process for the preparation of isocyanates derived therefrom | AMERICAN CYANAMID COMPANY (US) | 1985-12-18 | — | — | EP | claimed |
| US-4523003-A | Storage stable, one package, heat curable polyurea/urethane coating compositions and method of preparation | AMERICAN CYANAMID COMPANY (US) | 1985-06-11 | — | — | US | claimed |
| US-4439616-A | THERMAL CRACKING, ACID CATALYST | AMERICAN CYANAMID COMPANY (US) | 1984-03-27 | — | — | US | claimed |
| EP-0101832-A1 | Tertiary aralkyl urethanes and isocyanates derived therefrom | AMERICAN CYANAMID COMPANY (US) | 1984-03-07 | — | — | EP | claimed |