Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3669277 | 0.85 | CYP3A4 (0.50) | CYP3A4ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL11430534 | 0.84 | CYP3A4 (0.46) | CYP3A4ALDH1A1HSD17B10HPGDTSHR | |
| Alpha-Naphthylisocyanate SCHEMBL29400034 | 0.79 | CYP1A2 (0.64) | CYP3A4ALDH1A1HSD17B10HPGDTSHR | |
| Alpha-Naphthylisocyanate SCHEMBL374 | 0.79 | CYP1A2 (0.64) | CYP3A4ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL9229488 | 0.79 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL9251624 | 0.79 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL15431 | 0.78 | CYP3A4 (0.64) | CYP3A4ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL29395383 | 0.78 | CYP3A4 (0.64) | CYP3A4ALDH1A1HSD17B10HPGDTSHR | |
| Alpha-Naphthylisocyanate SCHEMBL3333508 | 0.78 | CYP1A2 (0.62) | CYP3A4ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL29370250 | 0.77 | CYP3A4 (0.62) | CYP3A4ALDH1A1HSD17B10HPGDTSHR |
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 759 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117820601-A | Naphthalene diisocyanate composition, preparation method and application thereof | 万华化学集团股份有限公司 | 2024-04-05 | — | — | CN | claimed |
| US-20240110002-A1 | NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE | INGEVITY UK LTD (GB) | 2024-04-04 | — | — | US | claimed |
| WO-2024068129-A1 | NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE | INGEVITY UK LTD. (GB) | 2024-04-04 | — | — | WO | claimed |
| CN-112384496-B | Method for recovering diisocyanate from distillation residue | 科思创德国股份有限公司 | 2024-02-02 | — | — | CN | claimed |
| CN-116178668-A | Naphthalene diisocyanate composition and preparation method and application thereof | 万华化学集团股份有限公司 | 2023-05-30 | — | — | CN | claimed |
| US-20230159693-A1 | CURABLE COMPOSITIONS CONTAINING ISOCYANATE-BASED TOUGHENERS | KANEKA AEROSPACE LLC (US) | 2023-05-25 | — | — | US | claimed |
| US-20230050973-A1 | METHOD FOR RECOVERING DIISOCYANATES FROM DISTILLATION RESIDUES | COVESTRO DEUTSCHLAND AG (DE) | 2023-02-16 | — | — | US | claimed |
| US-20210369911-A1 | HYDROGEL COMPOSITIONS | UNIVERSITÉ DE HAUTE-ALSACE (FR) | 2021-12-02 | — | — | US | claimed |
| US-20210284603-A1 | METHOD FOR EXTRACTING DIISOCYANATES FROM DISTILLATION RESIDUES | COVESTRO DEUTSCHLAND AG (DE) | 2021-09-16 | — | — | US | claimed |
| US-20210276944-A1 | METHOD FOR RECOVERING DIISOCYANATES FROM DISTILLATION RESIDUES | COVESTRO DEUTSCHLAND AG (DE) | 2021-09-09 | — | — | US | claimed |
| WO-2003016247-A2 | POLYMERIC URETHANE ESTER QUATS AND THEIR USE IN PERSONAL CARE COMPOSITIONS | ALZO INTERNATIONAL, INC. (US) | 2003-02-27 | — | — | WO | claimed |
| EP-0694532-B1 | Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols | CIBA SC HOLDING AG (CH) | 2000-05-31 | — | — | EP | claimed |
| US-5998510-A | POLYESTERURETHANE COPOLYMER | PREMIX, INC. (US) | 1999-12-07 | — | — | US | claimed |
| US-5708119-A | POLYURETHANES FOR WATERPROOFING AND OIL REPELLENTS | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1998-01-13 | — | — | US | claimed |
| US-5663273-A | APPLYING TO IMPART OIL AND WATER REPELLENCY | CIBA-GEIGY CORPORATION (US) | 1997-09-02 | — | — | US | claimed |
| EP-0694532-A1 | Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols | CIBA-GEIGY AG (CH) | 1996-01-31 | — | — | EP | claimed |
| EP-0690039-A2 | Poly-perfluoroalkyl-substituted alcohols and acids, and derivatives thereof | CIBA-GEIGY AG (CH) | 1996-01-03 | — | — | EP | claimed |
| US-5200493-A | Polyurethanes and polythiourethanes; protective coatings; oil repellents; waterproofing; antisoilants | CIBA-GEIGY CORPORATION (US) | 1993-04-06 | — | — | US | claimed |
| EP-0048117-A2 | In-mold coating compositions containing a non-isocyanate-reactive unsaturated resin, a non-isocyanate-reactive monomer and a free isocyanate-containing compound | ICI AMERICAS INC. (US) | 1982-03-24 | — | — | EP | claimed |
| US-4105622-A | PROCESS FOR THE PREPARATION OF FLAME RETARDANT THERMOPLASTIC RESIN COMPOSITIONS | DAINIPPON INC. & CHEMICALS INC. (JP) | 1978-08-08 | — | — | US | claimed |