Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | BPTF | Q12830 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15379222 | 0.90 | CHRNB2 (0.58) | CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL15379224 | 0.90 | CHRNB2 (0.58) | CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL31200769 | 0.81 | CYP1A2 (0.60) | CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL21788579 | 0.81 | MAP4K4 (0.48) | MAP4K4HRH4PIM1 | |
| SCHEMBL2009311 | 0.80 | CYP1A2 (0.62) | CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL29017644 | 0.78 | CNR2 (0.57) | MAP4K4HRH4PIM1 | |
| SCHEMBL15940864 | 0.78 | CYP1A2 (0.55) | CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL31200650 | 0.78 | CYP1A2 (0.55) | CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL9990416 | 0.77 | CYP1A2 (0.88) | CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL29845748 | 0.77 | CYP1A2 (0.96) | CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3 |
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-114478478-B | N- (1- (6- (substituted phenyl) pyridazin-3-yl) piperidin-3-yl) amine/amide derivatives and process for preparing the same | 厦门大学 | 2023-06-13 | — | — | CN | disclosed |
| CN-114478478-A | N- (1- (6- (substituted phenyl) pyridazine-3-yl) piperidine-3-yl) amine/amide derivative and preparation method thereof | 厦门大学 | 2022-05-13 | — | — | CN | disclosed |