Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 6/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | S100A4 | P26447 | 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 | |
|---|---|---|---|---|
| SCHEMBL29017702 | 0.92 | KMT2A (0.41) | BTKKMT2AMEN1AURKAPDPK1 | |
| SCHEMBL29017652 | 0.90 | BTK (0.51) | BTK | |
| SCHEMBL29017742 | 0.90 | BTK (0.48) | BTKCNR1KMT2AMEN1HMOX1 | |
| SCHEMBL29637927 | 0.90 | BTK (0.48) | BTKCNR1KMT2AMEN1HMOX1 | |
| SCHEMBL29017648 | 0.89 | KMT2A (0.42) | BTKKMT2AMEN1AURKAPDPK1 | |
| SCHEMBL29017722 | 0.87 | CNR1 (0.46) | BTKCNR1KMT2AMEN1CCR2 | |
| SCHEMBL29017683 | 0.87 | CNR1 (0.47) | BTKCNR1KMT2AMEN1CCR2 | |
| SCHEMBL29637922 | 0.87 | CNR1 (0.47) | BTKCNR1KMT2AMEN1CCR2 | |
| SCHEMBL29017653 | 0.83 | CNR1 (0.44) | BTKCNR1KMT2AMEN1CCR2 | |
| SCHEMBL29637923 | 0.83 | CNR1 (0.47) | BTKCNR1KMT2AMEN1CCR2 |
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 |