Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.60 |
| ▸ | TSHR | P16473 | 8/20 | 0.60 |
| ▸ | HPGD | P15428 | 6/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 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 | |
|---|---|---|---|---|
| SCHEMBL5635675 | 0.89 | HSD17B10 (0.60) | HSD17B10TSHRHPGDCYP3A4ALDH1A1 | |
| SCHEMBL15149919 | 0.86 | HSD17B10 (0.48) | HSD17B10TSHRHPGDCYP3A4ALDH1A1 | |
| SCHEMBL4300949 | 0.78 | CYP3A4 (0.41) | HSD17B10TSHRHPGDCYP3A4ALDH1A1 | |
| SCHEMBL69259 | 0.78 | HSD17B10 (0.80) | HSD17B10TSHRHPGDCYP3A4ALDH1A1 | |
| SCHEMBL22372546 | 0.77 | HSD17B10 (0.46) | HSD17B10TSHRHPGDCYP3A4ALDH1A1 | |
| SCHEMBL17017263 | 0.77 | CA3 (0.36) | HSD17B10TSHRHPGDCYP3A4ALDH1A1 | |
| Triclofenol SCHEMBL1338 | 0.76 | HSD17B10 (1.00) | HSD17B10TSHRHPGDCYP3A4ALDH1A1 | |
| SCHEMBL1436824 | 0.76 | AHR (0.44) | HSD17B10TSHRHPGDCYP3A4ALDH1A1 | |
| Triclofenol SCHEMBL29387498 | 0.76 | HSD17B10 (1.00) | HSD17B10TSHRHPGDCYP3A4ALDH1A1 | |
| SCHEMBL4306430 | 0.75 | CYP3A4 (0.35) | HSD17B10TSHRHPGDCYP3A4ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105980354-A | Method for producing harmful-organism control agent, and intermediate thereof | 庵原化学工业株式会社 | 2016-09-28 | — | — | CN | disclosed |
| WO-2009139340-A1 | PYRAZOLE COMPOUND | 武田薬品工業株式会社 (JP) | 2009-11-19 | — | — | WO | disclosed |