Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3192305 | 0.86 | NPSR1 (0.46) | NPC1RAB9AMAPK1NPSR1CYP1A2 | |
| SCHEMBL3179849 | 0.84 | ALDH1A1 (0.46) | NPC1RAB9AHDAC3HDAC1HDAC2 | |
| SCHEMBL4713850 | 0.81 | HDAC6 (0.40) | NPC1RAB9AHDAC6MAPK1NPSR1 | |
| SCHEMBL3169957 | 0.76 | ALDH1A1 (0.48) | NPC1RAB9AMAPK1CYP1A2CYP3A4 | |
| SCHEMBL13531552 | 0.74 | ALDH1A1 (0.50) | NPC1RAB9AMAPK1NPSR1ALDH1A1 | |
| SCHEMBL3183945 | 0.73 | HTT (0.50) | NPC1RAB9AMAPK1NPSR1ALDH1A1 | |
| SCHEMBL3175489 | 0.72 | ALDH1A1 (0.43) | NPC1RAB9ACYP1A2ALDH1A1HPGD | |
| SCHEMBL10392166 | 0.68 | RAB9A (0.56) | NPC1RAB9AHDAC1HDAC6MAPK1 | |
| SCHEMBL900419 | 0.65 | ALDH1A1 (0.58) | NPC1RAB9AMAPK1ALDH1A1HPGD | |
| SCHEMBL6652987 | 0.65 | KMT2A (0.45) | NPC1RAB9AMAPK1NPSR1ALDH1A1 |
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 |