Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HTR2C | P28335 | 6/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL930208 | 0.98 | ALDH1A1 (0.54) | ALDH1A1HTR2CTRPA1GABRA1GABRB2 | |
| SCHEMBL466853 | 0.90 | ALDH1A1 (0.50) | ALDH1A1HTR2CTRPA1GABRA1GABRB2 | |
| SCHEMBL30218222 | 0.88 | ALDH1A1 (0.48) | ALDH1A1HTR2CTRPA1GABRA1GABRB2 | |
| SCHEMBL8954630 | 0.88 | ALDH1A1 (0.48) | ALDH1A1HTR2CTRPA1GABRA1GABRB2 | |
| SCHEMBL673222 | 0.88 | ALDH1A1 (0.48) | ALDH1A1HTR2CTRPA1GABRA1GABRB2 | |
| Methane SCHEMBL9104929 | 0.86 | ALDH1A1 (0.46) | ALDH1A1HTR2CTRPA1GABRA1GABRB2 | |
| SCHEMBL2048750 | 0.82 | NOTUM (0.38) | ALDH1A1HTR2CHPGDHSD17B10NOTUM | |
| SCHEMBL21884033 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HTR2CTRPA1GABRA1GABRB2 | |
| SCHEMBL16958457 | 0.78 | HTR2C (0.50) | ALDH1A1HTR2CMAP3K14OPRL1KCNH2 | |
| SCHEMBL15517656 | 0.78 | ALDH1A1 (0.42) | ALDH1A1HTR2CTRPA1GABRA1GABRB2 |
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-102510857-B | method for producing 3-substituted-oxy-4-pyridazinol derivative | MITSUI CHEMICALS AGRO INC | 2015-05-13 | — | — | CN | disclosed |
| CN-102510857-A | method for producing 3-substituted-oxy-4-pyridazinol derivative | MITSUI CHEMICALS AGRO INC | 2012-06-20 | — | — | CN | disclosed |