Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14938998 | 0.96 | NPSR1 (0.60) | NPSR1ALDH1A1KDM4EHTTMAPT | |
| SCHEMBL14939707 | 0.93 | NPSR1 (0.68) | NPSR1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL14938986 | 0.92 | NPSR1 (0.64) | NPSR1ALDH1A1KDM4EHTTMAPT | |
| SCHEMBL14940499 | 0.89 | NPSR1 (0.53) | NPSR1ALDH1A1KDM4EHTTMAPT | |
| SCHEMBL14939435 | 0.87 | NPSR1 (0.77) | NPSR1ALDH1A1KDM4EHTTMAPT | |
| SCHEMBL14939296 | 0.86 | NPSR1 (0.50) | NPSR1ALDH1A1KDM4EMAPTALDH3A1 | |
| SCHEMBL14939369 | 0.85 | NPSR1 (0.55) | NPSR1MAPT | |
| SCHEMBL14939933 | 0.85 | NPSR1 (0.77) | NPSR1ALDH1A1KDM4EHTTMAPT | |
| SCHEMBL14940036 | 0.84 | NPSR1 (0.48) | NPSR1ALDH1A1MAPT | |
| SCHEMBL14939280 | 0.84 | NPSR1 (0.76) | NPSR1ALDH1A1MAPTMEN1KMT2A |
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 |