Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL479743 | 0.86 | CYP3A4 (0.46) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL3507727 | 0.81 | TDP1 (0.43) | CYP3A4TSHRALDH1A1ALOX15HPGD | |
| SCHEMBL20819282 | 0.79 | CYP3A4 (0.48) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL16670732 | 0.79 | CSNK2A1 (0.41) | TAAR1PNMT | |
| SCHEMBL282088 | 0.78 | CYP3A4 (0.52) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL15358717 | 0.78 | CASP1 (0.39) | CYP3A4TSHRALDH1A1ALOX15THRB | |
| SCHEMBL9939734 | 0.78 | HTR2A (0.39) | CYP3A4ALDH1A1HPGDHTR2ASLC6A4 | |
| SCHEMBL3454581 | 0.78 | ALDH1A1 (0.37) | ALDH1A1HPGDHTR2ASLC6A4SMN1; SMN2 | |
| SCHEMBL29956098 | 0.78 | HTR2A (0.39) | CYP3A4ALDH1A1HPGDHTR2ASLC6A4 | |
| SCHEMBL14744357 | 0.76 | CSNK2A2 (0.47) | CYP3A4TSHRCA1CA2ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2794573-A1 | NOVEL INSECTICIDAL AROMATIC AMIDES | Bayer Intellectual Property GmbH (DE) | 2014-10-29 | — | — | EP | disclosed |
| WO-2013092522-A1 | NOVEL INSECTICIDAL AROMATIC AMIDES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-06-27 | — | — | WO | disclosed |
| EP-2393781-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010072599-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |
| EP-1745041-A2 | QUINOXALINE INHIBITORS OF THE HEDGEHOG SIGNALLING PATHWAY | Genentech, Inc. (US) | 2007-01-24 | — | — | EP | disclosed |
| WO-2006078283-A2 | QUINOXALINE INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2006-07-27 | — | — | WO | disclosed |