Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 4/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | HTR7 | P34969 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL3424943 | 0.93 | NPC1 (0.38) | NPC1RAB9AHTR6KDRLTA4H | |
| SCHEMBL675636 | 0.87 | MCHR1 (0.43) | NPC1RAB9AHTR6KDRLTA4H | |
| SCHEMBL3664144 | 0.85 | NPC1 (0.43) | NPC1RAB9AHTR6KDRLTA4H | |
| SCHEMBL3398885 | 0.84 | LSS (0.45) | HTR6ALDH1A1CXCR1 | |
| SCHEMBL3672655 | 0.83 | DRD3 (0.42) | HTR6ALDH1A1 | |
| SCHEMBL675245 | 0.82 | HTR6 (0.45) | RAB9AHTR6KDRALDH1A1 | |
| SCHEMBL3668236 | 0.81 | HTR6 (0.46) | HTR6 | |
| SCHEMBL675472 | 0.77 | SRC (0.43) | HTR6 | |
| SCHEMBL676293 | 0.77 | NPC1 (0.45) | NPC1RAB9AHTR6ALDH1A1 | |
| SCHEMBL677405 | 0.73 | HTR1A (0.43) | HTR6LTA4HHTR1AHTR7KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2161271-A1 | Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl | Università Degli Studi Di Milano - Bicocca (IT) | 2010-03-10 | — | — | EP | disclosed |