Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29151131 | 1.00 | CA12 (0.49) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL28013472 | 0.81 | SLC6A2 (0.56) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL29151050 | 0.81 | CA12 (0.47) | CA12CA1CA2CA9ATM | |
| SCHEMBL10459035 | 0.81 | NPC1 (0.51) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL29488639 | 0.81 | CA12 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL30745148 | 0.81 | CA12 (0.47) | CA12CA1CA2CA9ATM | |
| SCHEMBL3043828 | 0.79 | CA12 (0.61) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL29151112 | 0.78 | MGLL (0.50) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL30745155 | 0.78 | MGLL (0.50) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL10584952 | 0.77 | CA12 (0.51) | CA12CA1CA2CA9NPC1 |
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-117510470-A | Pyridazinone compounds and application thereof | 暨南大学 | 2024-02-06 | — | — | CN | disclosed |
| WO-2022068915-A1 | 6-OXO-1,6-DIHYDROPYRIDAZIN DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2022-04-07 | — | — | WO | disclosed |