Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PHGDH | O43175 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.40 |
| ▸ | TACR2 | P21452 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939760 | 0.93 | NPSR1 (0.49) | NPSR1KDM4EALDH1A1PHGDHHTT | |
| SCHEMBL14940282 | 0.88 | NPSR1 (0.51) | NPSR1ALDH1A1PHGDHHTTKMT2A | |
| SCHEMBL14939747 | 0.88 | NPSR1 (0.51) | NPSR1KDM4EALDH1A1PHGDHMEN1 | |
| SCHEMBL14939586 | 0.88 | NPSR1 (0.51) | NPSR1KDM4EALDH1A1PHGDHHTT | |
| SCHEMBL14939314 | 0.86 | NPSR1 (0.47) | NPSR1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL14940278 | 0.85 | NPSR1 (0.67) | NPSR1KDM4EALDH1A1PHGDHHTT | |
| SCHEMBL14939733 | 0.85 | NPSR1 (0.47) | NPSR1KDM4EALDH1A1PHGDHHTT | |
| SCHEMBL14938717 | 0.83 | PHGDH (0.52) | NPSR1KDM4EALDH1A1PHGDHHTT | |
| SCHEMBL14938994 | 0.83 | NPSR1 (0.47) | NPSR1KDM4EALDH1A1HTTMEN1 | |
| SCHEMBL14939174 | 0.83 | NPSR1 (0.65) | NPSR1KDM4EALDH1A1MEN1KMT2A |
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 |