Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 6/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL29637917 | 1.00 | KMT2A (0.44) | KMT2APKMBTKS100A4AURKA | |
| SCHEMBL29637923 | 0.91 | CNR1 (0.47) | KMT2APKMBTKS100A4MEN1 | |
| SCHEMBL29017694 | 0.91 | CNR1 (0.47) | KMT2APKMBTKS100A4MEN1 | |
| SCHEMBL29637931 | 0.90 | BTK (0.53) | BTKJAK3 | |
| SCHEMBL29017677 | 0.90 | BTK (0.53) | BTKJAK3 | |
| SCHEMBL29637984 | 0.88 | KMT2A (0.44) | KMT2APKMBTKAURKAPDPK1 | |
| SCHEMBL29017709 | 0.88 | KMT2A (0.44) | KMT2APKMBTKAURKAPDPK1 | |
| SCHEMBL29017667 | 0.87 | AURKA (0.44) | KMT2ABTKAURKAPDPK1AURKB | |
| SCHEMBL29637911 | 0.87 | PPARD (0.45) | KMT2ABTKS100A4AURKAPDPK1 | |
| SCHEMBL29017784 | 0.87 | PPARD (0.45) | KMT2ABTKS100A4AURKAPDPK1 |
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 |