Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.83 |
| ▸ | ACHE | P22303 | 3/20 | 0.83 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL28646369 | 0.93 | TSHR (0.71) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL8518692 | 0.93 | TSHR (0.71) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL11035539 | 0.91 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL170581 | 0.91 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL10522915 | 0.91 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL2854068 | 0.91 | — | — | |
| O-Xylene SCHEMBL8216257 | 0.91 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL11034038 | 0.91 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL772 | 0.91 | — | — | |
| O-Xylene SCHEMBL29385454 | 0.91 | — | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1368499-A2 | RAT TOXICOLOGICALLY RELEVANT GENES AND USES THEREOF | Phase-1 Molecular Toxicology Inc. (US) | 2003-12-10 | — | — | EP | claimed |
| WO-2002066682-A2 | RAT TOXICOLOGICALLY RELEVANT GENES AND USES THEREOF | PHASE-1 MOLECULAR TOXICOLOGY, INC. (US) | 2002-08-29 | — | — | WO | claimed |
| CN-114761388-A | Method for preparing deuterated aromatic compounds and deuterated reaction compositions | 株式会社LG化学 | 2022-07-15 | — | — | CN | disclosed |
| CN-104423184-B | Toner for developing electrostatic latent image, electrostatic charge image developer and toner container | 富士施乐株式会社 | 2019-11-29 | — | — | CN | disclosed |
| CN-110078743-A | Novel imidazoles-acyclic derivatives as modulators of kinase activity | 默克专利有限公司 | 2019-08-02 | — | — | CN | disclosed |
| CN-104955826-B | It can be used for treating spiral shell-Quinzolone derivatives of neurological disorder and illness | 默克专利股份公司 | 2019-05-31 | — | — | CN | disclosed |
| CN-109071490-A | Acyclic derivatives | 默克专利股份公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-105814037-B | N1- (the fluoro- 2- hydroxy-2-methyl propiono of 3,3,3- tri-)-piperidine derivative of inhibitor as pyruvic dehydrogenase kinase | 默克专利股份公司 | 2018-11-30 | — | — | CN | disclosed |
| CN-108779093-A | N1- (tri- fluoro- 2- hydroxy-2-methyls propionos of 3,3,3-)-piperidine derivative of inhibitor as pyruvic dehydrogenase kinase | 默克专利股份公司 | 2018-11-09 | — | — | CN | disclosed |
| CN-105683169-B | Terazololine-one compound and application thereof | 住友化学株式会社 | 2018-11-06 | — | — | CN | disclosed |
| CN-105339356-B | phthalazine derivatives | 默克专利股份公司 | 2018-10-19 | — | — | CN | disclosed |
| CN-102736459-B | Polyester resin, toner, developing agent, toner Cartridge, handle box and imaging device for toner | 富士施乐株式会社 | 2016-12-14 | — | — | CN | disclosed |
| CN-103748095-B | Bicyclic heteroaromatic compounds | MERCK PATENT GMBH (DE) | 2016-11-30 | — | — | CN | disclosed |
| CN-104478821-B | Oxadiazole diaryl compounds | 默克雪兰诺有限公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-103304759-B | Polyurethane resin, toner, developing agent, toner cartridge, handle box, image forming apparatus and image forming method | 富士施乐株式会社 | 2016-08-10 | — | — | CN | disclosed |
| CN-103172843-B | Polyester resin, toner, developing agent, toner cartridge, handle box, image processing system and image forming method | 富士施乐株式会社 | 2016-08-10 | — | — | CN | disclosed |
| CN-105814037-A | N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase | 默克专利股份公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-104093722-B | Furo [3,2-b]-and thieno [3,2-b] pyridine derivate as TBK1 and IKK inhibitor | 默克专利股份公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-1377271-A | Use of thienopyrimidines | MERCK PATENT GMBH (DE) | 2002-10-30 | — | — | CN | disclosed |
| CN-1329610-A | Chromenone and chromanone derivatives as integrin inhibitors | MERCK PATENT GMBH (DE) | 2002-01-02 | — | — | CN | disclosed |