Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CASP7 | P55210 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CASP4 | P49662 | 1/20 | 0.38 |
| ▸ | CASP5 | P51878 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 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 | |
|---|---|---|---|---|
| SCHEMBL24467697 | 0.82 | ALDH1A1 (0.47) | ALDH1A1KDM4ETAAR1TSHRCYP3A4 | |
| SCHEMBL29029924 | 0.81 | ALDH1A1 (0.46) | ALDH1A1KDM4ETAAR1TSHRCYP3A4 | |
| SCHEMBL24467706 | 0.79 | ALDH1A1 (0.55) | ALDH1A1KDM4ETAAR1TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL29208842 | 0.77 | ALDH1A1 (0.58) | ALDH1A1KDM4ETAAR1TSHRCYP3A4 | |
| SCHEMBL24467792 | 0.77 | ALDH1A1 (0.49) | ALDH1A1KDM4ETAAR1TSHRCYP3A4 | |
| SCHEMBL24467769 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KDM4ETAAR1TSHRCYP3A4 | |
| SCHEMBL29631802 | 0.75 | POLB (0.38) | ALDH1A1KDM4ETSHRHSD17B10CYP2C19 | |
| SCHEMBL24968325 | 0.75 | ALDH1A1 (0.50) | ALDH1A1KDM4ETAAR1TSHRCYP3A4 | |
| SCHEMBL24467721 | 0.75 | ALDH1A1 (0.50) | ALDH1A1KDM4ETAAR1TSHRCYP3A4 | |
| SCHEMBL3668289 | 0.74 | ALDH1A1 (0.59) | ALDH1A1KDM4ETAAR1TSHRCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116157396-A | Pyridazinone derivatives and their use in medicine | 成都百裕制药股份有限公司 | 2023-05-23 | — | — | CN | disclosed |
| WO-2022111700-A1 | PYRIDAZINONE DERIVATIVES AND USE THEREOF IN MEDICINE | 成都百裕制药股份有限公司 | 2022-06-02 | — | — | WO | disclosed |
| WO-2022111700-A1 | PYRIDAZINONE DERIVATIVES AND USE THEREOF IN MEDICINE | 成都百裕制药股份有限公司 | 2022-06-02 | — | — | WO | disclosed |