Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | LCK | P06239 | 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 | |
|---|---|---|---|---|
| SCHEMBL3170295 | 0.86 | ALDH1A1 (0.46) | HDAC6ALDH1A1ADORA1MAPTPSMD14 | |
| SCHEMBL3186815 | 0.85 | ADORA1 (0.47) | HDAC6ALDH1A1ADORA1MAPTPSMD14 | |
| SCHEMBL4711599 | 0.81 | NPC1 (0.40) | HDAC6ALDH1A1MAPTHSD17B10NPC1 | |
| SCHEMBL4715159 | 0.79 | HDAC6 (0.35) | HDAC6ALDH1A1ADORA1MAPTPSMD14 | |
| SCHEMBL3179472 | 0.72 | ADORA1 (0.43) | ALDH1A1ADORA1MAPTPSMD14MMP2 | |
| SCHEMBL3187071 | 0.71 | ADORA1 (0.43) | HDAC6ALDH1A1ADORA1MAPTPSMD14 | |
| SCHEMBL3183945 | 0.67 | HTT (0.50) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3192305 | 0.66 | NPSR1 (0.46) | ALDH1A1MAPTHSD17B10NPC1RAB9A | |
| SCHEMBL3175489 | 0.65 | ALDH1A1 (0.43) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3169957 | 0.64 | ALDH1A1 (0.48) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1996588-A1 | NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS | Torrent Pharmaceuticals Ltd (IN) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007100295-A1 | NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS | TORRENT PHARMACEUTICALS LTD (IN) | 2007-09-07 | — | — | WO | disclosed |