Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.79 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939881 | 0.89 | NPSR1 (0.65) | NPSR1SIGMAR1MAPTALDH3A1KDM4E | |
| SCHEMBL14939617 | 0.88 | NPSR1 (1.00) | NPSR1SIGMAR1MAPTMMP2MMP9 | |
| SCHEMBL14939885 | 0.87 | NPSR1 (0.59) | NPSR1SIGMAR1MAPTRAB9AKDM4E | |
| SCHEMBL14939840 | 0.87 | NPSR1 (0.77) | NPSR1SIGMAR1MAPTKDM4EMMP2 | |
| SCHEMBL14939933 | 0.87 | NPSR1 (0.77) | NPSR1SIGMAR1MAPTRAB9AKDM4E | |
| SCHEMBL14939709 | 0.87 | NPSR1 (0.77) | NPSR1SIGMAR1MAPTALDH3A1ALDH1A1 | |
| SCHEMBL14939077 | 0.86 | NPSR1 (0.58) | NPSR1SIGMAR1MAPTALDH3A1KDM4E | |
| SCHEMBL14938987 | 0.86 | NPSR1 (0.85) | NPSR1SIGMAR1MAPTCHRM2CHRM3 | |
| SCHEMBL14939979 | 0.86 | NPSR1 (0.61) | NPSR1SIGMAR1MAPTALDH3A1KDM4E | |
| SCHEMBL14939755 | 0.85 | NPSR1 (0.57) | NPSR1MAPTALDH3A1ALDH1A1LMNA |
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 |