Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14939713 | 0.88 | NPSR1 (0.65) | NPSR1SIGMAR1ALDH1A1KDM4EGAA | |
| SCHEMBL14939729 | 0.88 | NPSR1 (0.68) | NPSR1SIGMAR1ALDH1A1GAADRD2 | |
| SCHEMBL14939975 | 0.86 | NPSR1 (0.60) | NPSR1SIGMAR1ALDH1A1KDM4EGAA | |
| SCHEMBL14940106 | 0.86 | NPSR1 (0.72) | NPSR1SIGMAR1ALDH1A1KDM4EGAA | |
| SCHEMBL14939655 | 0.86 | SIGMAR1 (0.52) | NPSR1SIGMAR1ALDH1A1KDM4EGAA | |
| SCHEMBL14939758 | 0.85 | NPSR1 (0.63) | NPSR1SIGMAR1ALDH1A1KDM4EGAA | |
| SCHEMBL14940112 | 0.84 | NPSR1 (0.60) | NPSR1SIGMAR1ALDH1A1KDM4EGAA | |
| SCHEMBL14939441 | 0.84 | NPSR1 (0.72) | NPSR1SIGMAR1ALDH1A1ALDH3A1MAPT | |
| SCHEMBL14940026 | 0.84 | NPSR1 (0.56) | NPSR1SIGMAR1ALDH1A1KDM4EGAA | |
| SCHEMBL14940447 | 0.83 | SIGMAR1 (0.54) | NPSR1SIGMAR1ALDH1A1KDM4EGAA |
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 |