Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | DRD2 | P14416 | 4/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29675679 | 1.00 | NPC1 (0.51) | NPC1RAB9AMAPTPOLBSMN1; SMN2 | |
| SCHEMBL29675387 | 0.86 | FDPS (0.56) | MAPTSMN1; SMN2KDM4ELMNAALDH1A1 | |
| SCHEMBL28616598 | 0.86 | FDPS (0.56) | MAPTSMN1; SMN2KDM4ELMNAALDH1A1 | |
| SCHEMBL28626681 | 0.86 | POLB (0.52) | NPC1RAB9AMAPTPOLBSMN1; SMN2 | |
| SCHEMBL29995988 | 0.86 | POLB (0.52) | NPC1RAB9AMAPTPOLBSMN1; SMN2 | |
| SCHEMBL28612645 | 0.79 | DRD2 (0.54) | NPC1RAB9ASMN1; SMN2ALDH1A1DRD2 | |
| SCHEMBL29675212 | 0.79 | DRD2 (0.54) | NPC1RAB9ASMN1; SMN2ALDH1A1DRD2 | |
| SCHEMBL28624567 | 0.78 | DRD2 (0.56) | NPC1MAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL29675362 | 0.78 | DRD2 (0.56) | NPC1MAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL369666 | 0.72 | NPC1 (0.47) | NPC1RAB9AMAPTPOLBSMN1; SMN2 |
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-113292515-B | Urea compound containing piperazine group and preparation method and application thereof | 沈阳药科大学 | 2022-05-20 | — | — | CN | disclosed |
| CN-113292515-A | Urea compound containing piperazine group and preparation method and application thereof | 沈阳药科大学 | 2021-08-24 | — | — | CN | disclosed |