Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9788256 | 0.83 | PTGS2 (0.40) | PTGS2PTGS1SLC6A4SLC6A3NPC1 | |
| SCHEMBL435264 | 0.81 | CYP1A2 (0.42) | CYP1A2PTGS2PTGS1AHRSLC6A4 | |
| SCHEMBL693994 | 0.81 | ALDH1A1 (0.39) | PTGS2NPC1RAB9ATP53HSD17B10 | |
| SCHEMBL7805516 | 0.80 | PTGS2 (0.36) | PTGS2PTGS1NPC1RAB9ANFKB1 | |
| SCHEMBL1491003 | 0.80 | ALDH1A1 (0.38) | SLC6A3NPC1RAB9ATP53TSHR | |
| SCHEMBL15225447 | 0.79 | AHR (0.47) | CYP1A2PTGS2PTGS1AHRRAB9A | |
| SCHEMBL4653269 | 0.78 | CYP1A2 (0.39) | CYP1A2PTGS2PTGS1AHRSLC6A4 | |
| SCHEMBL18952590 | 0.77 | APEX1 (0.43) | CYP1A2PTGS2PTGS1SLC6A4SLC6A3 | |
| SCHEMBL27954435 | 0.77 | CYP2A6 (0.42) | NPC1RAB9AKDM4EALDH1A1CYP2A6 | |
| SCHEMBL1490977 | 0.76 | AHR (0.35) | CYP1A2PTGS2PTGS1AHRNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3386973-A1 | PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES | Syngenta Participations AG (CH) | 2018-10-17 | — | — | EP | disclosed |
| WO-2017097927-A1 | PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2017-06-15 | — | — | WO | disclosed |
| EP-2770831-A1 | 1,3-DIARYL-SUBSTITUTED HETEROCYCLIC PESTICIDES | E. I. Du Pont de Nemours and Company (US) | 2014-09-03 | — | — | EP | 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-2013063282-A1 | 1,3-DIARYL-SUBSTITUTED HETEROCYCLIC PESTICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2013-05-02 | — | — | WO | disclosed |
| EP-2477982-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2012-07-25 | — | — | 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-2011034962-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2011-03-24 | — | — | WO | disclosed |