Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 4/20 | 0.52 |
| ▸ | TNKS | O95271 | 2/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29702345 | 0.85 | LRRK2 (0.40) | HTR3ALRRK2 | |
| SCHEMBL30544678 | 0.77 | HTR3A (0.49) | HTR3AKDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL30544672 | 0.76 | HTR3A (0.51) | HTR3ATNKSHRH4 | |
| SCHEMBL30493115 | 0.75 | CYP2C19 (0.44) | BRD4LRRK2ALDH1A1 | |
| SCHEMBL26135640 | 0.75 | CYP2C19 (0.44) | BRD4LRRK2ALDH1A1 | |
| SCHEMBL31427034 | 0.72 | LRRK2 (0.35) | LRRK2NPC1ALDH1A1RAB9A | |
| SCHEMBL19662780 | 0.70 | HTR3A (0.66) | HTR3ATNKSHRH4HRH3KDM4E | |
| SCHEMBL605441 | 0.69 | HTR3A (1.00) | HTR3ATNKSHRH4HRH3KDM4E | |
| SCHEMBL30544661 | 0.69 | KAT2B (0.44) | — | |
| SCHEMBL23761963 | 0.69 | HTR3A (0.64) | HTR3ATNKSHRH4HRH3KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116635371-A | Polycyclic pyridazinone derivative serving as SOS1 inhibitor, and preparation method and application thereof | 苏州阿尔脉生物科技有限公司 | 2023-08-22 | — | — | CN | disclosed |