Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL14938910 | 0.88 | NPSR1 (0.46) | NPSR1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL14939831 | 0.88 | NPSR1 (0.51) | NPSR1SIGMAR1ALDH1A1KDM4ERAB9A | |
| SCHEMBL14939664 | 0.87 | FABP6 (0.47) | NPSR1ALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL14940333 | 0.85 | NPSR1 (0.57) | NPSR1SIGMAR1ALDH1A1KDM4ERAB9A | |
| SCHEMBL14939562 | 0.83 | NPSR1 (0.60) | NPSR1SIGMAR1ALDH1A1KDM4ERAB9A | |
| SCHEMBL14940228 | 0.83 | TP53 (0.47) | NPSR1SIGMAR1ALDH1A1KDM4ERAB9A | |
| SCHEMBL14940377 | 0.80 | NPSR1 (0.74) | NPSR1SIGMAR1ALDH1A1KDM4ERAB9A | |
| SCHEMBL14939164 | 0.80 | NPSR1 (0.50) | NPSR1SIGMAR1ALDH1A1KDM4ERAB9A | |
| SCHEMBL14939217 | 0.78 | NPSR1 (0.48) | NPSR1SIGMAR1ALDH1A1KDM4ERAB9A | |
| SCHEMBL14939059 | 0.78 | NPSR1 (0.51) | NPSR1SIGMAR1ALDH1A1KDM4ERAB9A |
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 |