Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 2/20 | 0.31 |
| ▸ | CASP7 | P55210 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11359053 | 0.81 | — | — | |
| SCHEMBL6163163 | 0.74 | CYP2A6 (0.37) | CYP2A6CYP1A2CA1CA2ALOX12 | |
| SCHEMBL4411728 | 0.73 | CYP1A2 (0.54) | CYP2A6CYP1A2ALDH1A1HSD17B10TDP1 | |
| SCHEMBL68114 | 0.70 | CYP2A6 (0.42) | CYP2A6CYP1A2CA1CA2ALOX12 | |
| SCHEMBL457800 | 0.70 | CYP2A6 (0.42) | CYP2A6CYP1A2CA1CA2ALOX12 | |
| SCHEMBL408287 | 0.70 | ALDH1A1 (0.42) | CYP2A6CYP1A2CA1CA2ALOX12 | |
| SCHEMBL457933 | 0.70 | CYP2A6 (0.33) | CYP2A6CYP1A2CA1CA2ALOX12 | |
| SCHEMBL1639049 | 0.70 | CYP1A2 (0.42) | CYP2A6CYP1A2CA1CA2ALOX12 | |
| SCHEMBL456918 | 0.70 | CYP2A6 (0.42) | CYP2A6CYP1A2CA1CA2ALOX12 | |
| SCHEMBL2257365 | 0.67 | ALDH1A1 (0.35) | CYP1A2ALDH1A1HSD17B10TP53HPGD |
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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5750469-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-05-12 | — | — | US | claimed |
| CN-107382960-B | Compound for organic electric element, organic electric element using same, and electronic device using same | 德山新勒克斯有限公司 | 2022-12-23 | — | — | CN | disclosed |
| WO-2020246329-A1 | METHOD FOR PRODUCING β-KETOSULFONE COMPOUND | 住友化学株式会社 | 2020-12-10 | — | — | WO | disclosed |
| EP-2841429-B1 | TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2020-10-21 | — | — | EP | disclosed |
| EP-3045450-B1 | INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS | SUMITOMO CHEMICAL CO (JP) | 2018-02-07 | — | — | EP | disclosed |
| EP-2841433-B1 | TETRAZOLINONE COMPOUNDS AND ITS USE | SUMITOMO CHEMICAL CO (JP) | 2017-06-21 | — | — | EP | disclosed |
| US-9565856-B2 | Tetrazolinone compounds and its use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-02-14 | — | — | US | disclosed |
| EP-3045450-A1 | INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS | SUMITOMO CHEMICAL CO., LTD. (JP) | 2016-07-20 | — | — | EP | disclosed |
| US-9380782-B2 | Tetrazolinone compounds and its use | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-07-05 | — | — | US | disclosed |
| EP-2614053-B1 | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF | SUMITOMO CHEMICAL CO (JP) | 2016-03-23 | — | — | EP | disclosed |
| EP-0716654-A1 | SUBSTITUTED LACTIC-ACID DERIVATIVES WITH AN ORGANIC N-GROUP IN THE BETA POSITION, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND ANTIDOTES | BASF AKTIENGESELLSCHAFT (DE) | 1996-06-19 | — | — | EP | disclosed |
| CN-1121711-A | 3-(hetero)aryl carboxylic acid derivatives, methods of preparing them and intermediates used in their preparation | BASF AG (DE) | 1996-05-01 | — | — | CN | disclosed |
| CN-1121712-A | 3- (hetero) aryloxy (thio) carboxylic acid derivatives, process and intermediates for their preparation | BASF AG (DE) | 1996-05-01 | — | — | CN | disclosed |
| EP-0695296-A1 | 3-(HETERO)ARYLOXY(THIO) CARBOXYLIC ACID DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-07 | — | — | EP | disclosed |
| EP-0695295-A1 | 3-(HETERO)ARYL CARBOXYLIC ACID DERIVATIVES, METHODS OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-07 | — | — | EP | disclosed |
| WO-1995026716-A1 | PYRIMIDINE OR TRIAZINE CARBOXYLIC ACID DERIVATIVES TO BE USED AS MEDICAMENTS | BASF AKTIENGESELLSCHAFT (DE) | 1995-10-12 | — | — | WO | disclosed |
| WO-1995007266-A1 | SUBSTITUTED LACTIC-ACID DERIVATIVES WITH AN ORGANIC N-GROUP IN THE BETA POSITION, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND ANTIDOTES | BASF AKTIENGESELLSCHAFT (DE) | 1995-03-16 | — | — | WO | disclosed |
| WO-1994025443-A1 | 3-(HETERO)ARYLOXY(THIO) CARBOXYLIC ACID DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION | BASF AKTIENGESELLSCHAFT (DE) | 1994-11-10 | — | — | WO | disclosed |
| WO-1994025442-A1 | 3-(HETERO)ARYL CARBOXYLIC ACID DERIVATIVES, METHODS OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION | BASF AKTIENGESELLSCHAFT (DE) | 1994-11-10 | — | — | WO | disclosed |
| EP-0184738-A2 | Imidazole derivatives, medicaments containing these compounds, and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1986-06-18 | — | — | EP | disclosed |