Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28716015 | 0.79 | — | — | |
| SCHEMBL11653074 | 0.79 | ADORA2A (0.41) | CYP1A2CYP2C9KDM4EALDH1A1PKM | |
| SCHEMBL5555667 | 0.79 | ADORA2A (0.41) | CYP1A2CYP2C9KDM4EALDH1A1PKM | |
| SCHEMBL31636860 | 0.73 | CYP2C9 (0.61) | CYP2C9KDM4EALDH1A1PKMHTT | |
| SCHEMBL4546680 | 0.73 | CYP2C9 (0.61) | CYP2C9KDM4EALDH1A1PKMHTT | |
| SCHEMBL667301 | 0.73 | ALDH1A1 (0.46) | CYP2C9KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL4135128 | 0.73 | CYP2C9 (0.61) | CYP2C9KDM4EALDH1A1PKMHTT | |
| SCHEMBL11653026 | 0.73 | ALDH1A1 (0.46) | CYP2C9KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL30072599 | 0.73 | — | — | |
| SCHEMBL20240531 | 0.73 | — | — |
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-112645936-B | Substituted pyridazinone compound and use thereof | 山东第一医科大学(山东省医学科学院) | 2022-03-01 | — | — | CN | disclosed |
| CN-112645936-A | Substituted pyridazinone compound and use thereof | 山东第一医科大学(山东省医学科学院) | 2021-04-13 | — | — | CN | disclosed |