Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL2012244 | 0.83 | PTGS2 (0.39) | CYP2A6LMNAPTGS2TDO2PTGS1 | |
| SCHEMBL28822926 | 0.83 | MAPK1 (0.33) | CYP1A2CYP2A6LMNAALDH1A1TP53 | |
| SCHEMBL5899213 | 0.83 | HPGD (0.35) | CYP2A6PTGS2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL21723073 | 0.83 | AHR (0.42) | AHRCYP1A2CYP2A6LMNAPTGS2 | |
| SCHEMBL2093448 | 0.83 | CYP2A6 (0.54) | CYP1A2CYP2A6LMNAKDM4EALDH1A1 | |
| SCHEMBL1135190 | 0.81 | — | — | |
| SCHEMBL27555403 | 0.81 | CYP2A6 (0.52) | CYP1A2CYP2A6LMNAKDM4EALDH1A1 | |
| SCHEMBL9067366 | 0.79 | AHR (0.52) | AHRKDM4ENPC1ALDH1A1TP53 | |
| SCHEMBL8506861 | 0.79 | AHR (0.35) | AHRCYP1A2CYP2A6LMNAPTGS2 | |
| SCHEMBL16720203 | 0.79 | ALOX5 (0.41) | AHRCYP1A2CYP2A6LMNAPTGS2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106047985-A | High throughput screening method of alcohol dehydrogenase | 江南大学 | 2016-10-26 | — | — | CN | claimed |
| US-8026085-B2 | Methods and systems for selective fluorination of organic molecules | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2011-09-27 | — | — | US | claimed |
| CN-116583180-A | Lactam composition and use | 联合利华知识产权控股有限公司 | 2023-08-11 | — | — | CN | disclosed |
| EP-2595985-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| EP-2595984-A1 | MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012010568-A1 | MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |
| WO-2012010567-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |
| WO-2004030671-A2 | USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS | MERCK PATENT GMBH (DE) | 2004-04-15 | — | — | WO | disclosed |
| WO-2004030672-A1 | USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS | MERCK PATENT GMBH (DE) | 2004-04-15 | — | — | WO | disclosed |
| EP-0363223-A2 | 3-Aryloxymethyl-cephalosporin derivatives, their preparation and their medical use | Sankyo Company Limited (JP) | 1990-04-11 | — | — | EP | disclosed |