Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.53 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LSS | P48449 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL14940461 | 0.92 | NPSR1 (0.62) | NPSR1SIGMAR1DRD2ALDH1A1MAPT | |
| SCHEMBL14940522 | 0.92 | NPSR1 (0.53) | NPSR1SIGMAR1DRD2ALDH1A1HTT | |
| SCHEMBL14939834 | 0.91 | NPSR1 (0.53) | NPSR1DRD4SIGMAR1DRD2ALDH1A1 | |
| SCHEMBL14939113 | 0.89 | NPSR1 (0.53) | NPSR1ALDH1A1LSSKDM4EMEN1 | |
| SCHEMBL14939051 | 0.89 | NPSR1 (0.50) | NPSR1SIGMAR1DRD2MAPT | |
| SCHEMBL14939717 | 0.86 | NPSR1 (0.46) | NPSR1SIGMAR1ALDH1A1HTTMAPT | |
| SCHEMBL14939130 | 0.86 | NPSR1 (0.47) | NPSR1DRD4DRD2MAPTMEN1 | |
| SCHEMBL14939434 | 0.85 | NPSR1 (0.51) | NPSR1ALDH1A1HTTMAPTKDM4E | |
| SCHEMBL14939861 | 0.83 | ALDH1A1 (0.48) | DRD2ALDH1A1HTTKDM4EMEN1 | |
| SCHEMBL14939131 | 0.83 | KMT2A (0.46) | NPSR1ALDH1A1HTTMAPTKDM4E |
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 |