Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.77 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | DHPS | P49366 | 2/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14940290 | 0.90 | NPSR1 (0.63) | NPSR1CHRM2CHRM3ALDH1A1MAPT | |
| SCHEMBL14939850 | 0.88 | NPSR1 (0.60) | NPSR1CHRM2CHRM3ALDH1A1LMNA | |
| SCHEMBL14939391 | 0.88 | NPSR1 (0.60) | NPSR1ALDH1A1TP53MAPTRAB9A | |
| SCHEMBL14939617 | 0.87 | NPSR1 (1.00) | NPSR1LMNAMAPTMMP2MMP9 | |
| SCHEMBL14939742 | 0.86 | NPSR1 (0.82) | NPSR1LMNAMAPTMMP2MMP9 | |
| SCHEMBL14940333 | 0.86 | NPSR1 (0.57) | NPSR1CHRM3ALDH1A1MAPTMAPK1 | |
| SCHEMBL14940026 | 0.86 | NPSR1 (0.56) | NPSR1CHRM2CHRM3ALDH1A1MAPT | |
| SCHEMBL14939499 | 0.85 | NPSR1 (0.55) | NPSR1CHRM2CHRM3ALDH1A1LMNA | |
| SCHEMBL14938982 | 0.84 | NPSR1 (0.64) | NPSR1CHRM2CHRM3ALDH1A1LMNA | |
| SCHEMBL14939951 | 0.84 | NPSR1 (0.54) | NPSR1ALDH1A1LMNAMAPTRAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |