Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.85 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | RECQL | P46063 | 2/20 | 0.52 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.52 |
| ▸ | FYN | P06241 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL67369 | 0.92 | — | — | |
| SCHEMBL20563577 | 0.92 | TRPA1 (1.00) | TRPA1ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL7701981 | 0.90 | TRPA1 (0.94) | TRPA1ALDH1A1HPGDHSD17B10KDM4E | |
| Pyrogallol SCHEMBL1937411 | 0.90 | TRPA1 (0.94) | TRPA1ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL1937642 | 0.90 | TRPA1 (0.94) | TRPA1ALDH1A1HPGDHSD17B10KDM4E | |
| Catechol SCHEMBL10712653 | 0.87 | TRPA1 (0.90) | TRPA1ALDH1A1HPGDHSD17B10KDM4E | |
| Catechol SCHEMBL6436207 | 0.87 | TRPA1 (0.90) | TRPA1ALDH1A1HPGDHSD17B10KDM4E | |
| Hydroquinone SCHEMBL7522161 | 0.85 | TRPA1 (0.85) | TRPA1ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL28784286 | 0.85 | TRPA1 (0.68) | TRPA1ALDH1A1HPGDHSD17B10KDM4E | |
| Pyrogallol SCHEMBL758832 | 0.84 | CA2 (0.75) | TRPA1ALDH1A1HPGDHSD17B10KDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103502221-B | N- (3-carbamoylphenyl) -1H-pyrazole-5-carboxamide derivatives and their use for controlling animal pests | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-03-30 | — | — | CN | disclosed |
| CN-105073735-A | Halogen-substituted pyrazole derivatives as pest control agents | BAYER CROPSCIENCE AG | 2015-11-18 | — | — | CN | disclosed |
| CN-105008349-A | Novel halogen-substituted compounds | BAYER CROPSCIENCE AG | 2015-10-28 | — | — | CN | disclosed |
| CN-104447996-A | Anti-GCC antibody molecules and related compositions and methods | MILLENNIUM PHARM INC | 2015-03-25 | — | — | CN | disclosed |
| CN-104011026-A | NOVEL INSECTICIDAL AROMATIC AMIDES | BAYER IP GMBH | 2014-08-27 | — | — | CN | disclosed |
| CN-103502221-A | N- (3-carbamoylphenyl) -1H-pyrazole-5-carboxamide derivatives and their use for controlling animal pests | BAYER IP GMBH | 2014-01-08 | — | — | CN | disclosed |
| CN-103119016-A | Method for preparing ingenol-3-angelate | LEO PHARMA AS | 2013-05-22 | — | — | CN | disclosed |
| CN-101528761-A | Avermectin derivatives | BAYER CROPSCIENCE AG (DE) | 2009-09-09 | — | — | CN | disclosed |