Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29637894 | 1.00 | CNR2 (0.46) | CNR2HPGDKMT2ATP53MEN1 | |
| SCHEMBL29017643 | 0.92 | MCHR1 (0.46) | CNR2HPGDKMT2ATP53MEN1 | |
| SCHEMBL29637918 | 0.92 | MCHR1 (0.46) | CNR2HPGDKMT2ATP53MEN1 | |
| SCHEMBL29637956 | 0.91 | CNR2 (0.48) | CNR2HPGDKMT2ATP53MEN1 | |
| SCHEMBL29017708 | 0.91 | CNR2 (0.48) | CNR2HPGDKMT2ATP53MEN1 | |
| SCHEMBL29017731 | 0.89 | MCHR1 (0.44) | CNR2HPGDKMT2ATP53MEN1 | |
| SCHEMBL29637909 | 0.89 | MCHR1 (0.44) | CNR2HPGDKMT2ATP53MEN1 | |
| SCHEMBL29637906 | 0.88 | KMT2A (0.49) | CNR2HPGDKMT2ATP53MEN1 | |
| SCHEMBL29017675 | 0.87 | CNR2 (0.48) | CNR2HPGDKMT2ATP53MEN1 | |
| SCHEMBL29637912 | 0.87 | BTK (0.53) | CNR2BTK |
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 |