Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.36 |
| ▸ | GNRHR | P30968 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | COMT | P21964 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939696 | 0.95 | GRIN2B (0.38) | GRIN2BGNRHRALDH1A1POLBL3MBTL1 | |
| SCHEMBL14939181 | 0.92 | ALDH1A1 (0.41) | GNRHRALDH1A1POLBL3MBTL1TDP1 | |
| SCHEMBL14940179 | 0.92 | ALDH1A1 (0.37) | GRIN2BGNRHRALDH1A1POLBL3MBTL1 | |
| SCHEMBL14939210 | 0.92 | GRIN2B (0.38) | GRIN2BGNRHRALDH1A1POLBL3MBTL1 | |
| SCHEMBL14938813 | 0.90 | ALDH1A1 (0.36) | ALDH1A1POLBSMN1; SMN2MAPTMAPK1 | |
| SCHEMBL14938749 | 0.89 | ALDH1A1 (0.35) | GNRHRALDH1A1L3MBTL1TDP1MAPT | |
| SCHEMBL14939156 | 0.88 | BCHE (0.35) | ALDH1A1POLBMAPK1 | |
| SCHEMBL14940081 | 0.87 | ALDH1A1 (0.44) | ALDH1A1MAPT | |
| SCHEMBL14938829 | 0.87 | ALDH1A1 (0.41) | GNRHRALDH1A1POLBL3MBTL1TDP1 | |
| SCHEMBL14939170 | 0.87 | TP53 (0.39) | GNRHRALDH1A1SMN1; SMN2MAPTMAPK1 |
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 |