Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21633299 | 0.73 | CYP1A2 (0.43) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL179565 | 0.68 | CYP1A2 (0.50) | CYP1A2TSHRKDM4EKMT2AMEN1 | |
| SCHEMBL16475880 | 0.68 | CYP1A2 (0.46) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL1019601 | 0.67 | CYP1A2 (0.59) | CYP1A2TSHRKDM4EKMT2AMEN1 | |
| SCHEMBL21843252 | 0.67 | BRD4 (0.56) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL489524 | 0.65 | TSHR (0.52) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL3010137 | 0.65 | CYP1A2 (0.43) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL4939167 | 0.65 | CYP1A2 (0.43) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL4045529 | 0.64 | TSHR (0.61) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL12457581 | 0.64 | CYP1A2 (0.46) | CYP1A2TSHRCA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3828177-B1 | PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) | 2023-11-29 | — | — | EP | disclosed |
| EP-3828177-A1 | PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2021-06-02 | — | — | EP | disclosed |
| WO-2020022412-A1 | PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | 三井化学アグロ株式会社 | 2020-01-30 | — | — | WO | disclosed |