Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.52 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.49 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.48 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17508122 | 0.93 | CRHBP (0.57) | CYP2A6CYP2A13NR1H2NR1H3CRHBP | |
| SCHEMBL11881187 | 0.84 | NR1H2 (0.62) | NR1H2NR1H3CRHBPCRHR2ALDH1A1 | |
| SCHEMBL4056353 | 0.84 | CYP2A6 (0.55) | CYP2A6CYP2A13CRHBPCRHR2ALDH1A1 | |
| SCHEMBL4048393 | 0.84 | CYP2A6 (0.55) | CYP2A6CYP2A13CRHBPCRHR2ALDH1A1 | |
| SCHEMBL4054714 | 0.83 | CYP2A6 (0.48) | CYP2A6CYP2A13CRHBPCRHR2ALDH1A1 | |
| SCHEMBL13242094 | 0.83 | CYP2A6 (0.48) | CYP2A6CYP2A13NR1H2NR1H3CRHBP | |
| SCHEMBL1165356 | 0.81 | CYP2C19 (0.58) | CYP2A6CYP2A13NR1H2NR1H3CRHBP | |
| SCHEMBL8620760 | 0.81 | NR3C2 (0.49) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL8484118 | 0.81 | ACHE (0.52) | CYP2A6ALDH1A1KDM4ETSHRSMN1; SMN2 | |
| SCHEMBL4050305 | 0.81 | ALDH1A1 (0.49) | CYP2A6CYP2A13NR1H2NR1H3CRHBP |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3006432-B1 | 2,3-BUTANEDIAMIDE EPOXIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF | INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA (CN) | 2017-11-15 | — | — | EP | disclosed |
| WO-2009109998-A1 | NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS | LUPIN LIMITED (IN) | 2009-09-11 | — | — | WO | disclosed |
| EP-0118086-B1 | TWO-COMPONENT DIAZO TYPE MATERIAL | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-09-27 | — | — | EP | disclosed |
| US-4732991-A | Substituted phthalides | HILTON DAVIS CHEMICAL CO. (US) | 1988-03-22 | — | — | US | disclosed |
| US-4595768-A | 3-(substituted phenyl)phthalides | THE HILTON-DAVIS CHEMICAL CO. (US) | 1986-06-17 | — | — | US | disclosed |
| EP-0074569-B1 | CATIONIC METHINE DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE, IN DYEING TEXTILE MATERIALS AND OTHER SUBSTRATES | BAYER AG (DE) | 1985-06-19 | — | — | EP | disclosed |
| US-4513142-A | Preparation of cationic methine dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1985-04-23 | — | — | US | disclosed |
| US-4494989-A | PRESSURE SENSITIVE CARBONLESS DUPLICATING OR THERMAL MARKING SYSTEMS | THE HILTON-DAVIS CHEMICAL CO. (US) | 1985-01-22 | — | — | US | disclosed |
| EP-0118086-A2 | Two-component diazo type material | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-09-12 | — | — | EP | disclosed |
| EP-0074569-A2 | Cationic methine dyes, process for their preparation and their use, in dyeing textile materials and other substrates | BAYER AG (DE) | 1983-03-23 | — | — | EP | disclosed |
| US-4257954-A | INDOLYL-PHENYLSULFONYL-PHENYL METHANE | STERLING DRUG INC. (US) | 1981-03-24 | — | — | US | disclosed |
| US-4110070-A | QUATERNIZING INDOLENINE METHINE COMPOUND ON FIBERS TO FORM CATIONIC DYE | HODOGAYA CHEMICAL CO., LTD. (JP) | 1978-08-29 | — | — | US | disclosed |