Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 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 | |
|---|---|---|---|---|
| SCHEMBL14939526 | 0.92 | NPSR1 (0.46) | NPSR1SIGMAR1OPRM1KCNH2LMNA | |
| SCHEMBL14940059 | 0.92 | NPSR1 (0.49) | NPSR1SIGMAR1OPRM1KCNH2CHRM2 | |
| SCHEMBL14939400 | 0.91 | NPSR1 (0.52) | NPSR1SIGMAR1LMNAPOLBCHRM2 | |
| SCHEMBL14939844 | 0.90 | NPSR1 (0.45) | NPSR1SIGMAR1LMNAPOLBDRD2 | |
| SCHEMBL14939852 | 0.90 | NPSR1 (0.54) | NPSR1SIGMAR1OPRM1KCNH2CHRM2 | |
| SCHEMBL14938855 | 0.90 | ALDH1A1 (0.38) | NPSR1SIGMAR1OPRM1KCNH2POLB | |
| SCHEMBL14940207 | 0.89 | ALDH1A1 (0.46) | NPSR1SIGMAR1OPRM1LMNAKMT2A | |
| SCHEMBL14939854 | 0.89 | CHRM2 (0.43) | NPSR1SIGMAR1LMNACHRM2CHRM3 | |
| SCHEMBL14939744 | 0.88 | LMNA (0.45) | NPSR1SIGMAR1LMNAPOLBDRD2 | |
| SCHEMBL14939880 | 0.87 | NPSR1 (0.52) | NPSR1SIGMAR1OPRM1KCNH2CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | claimed |
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |