Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | BMP4 | P12644 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.36 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3664144 | 0.93 | NPC1 (0.43) | NPC1RAB9ABMP4HTR6KDM4E | |
| SCHEMBL3671386 | 0.93 | NPC1 (0.43) | NPC1RAB9AHTR6KDM4EALDH1A1 | |
| SCHEMBL675636 | 0.81 | MCHR1 (0.43) | NPC1RAB9ABMP4HTR6KDM4E | |
| SCHEMBL15375344 | 0.79 | ALK (0.53) | HTR6HTR1A | |
| SCHEMBL3398593 | 0.78 | LSS (0.45) | HTR6KDRSRCHTR1AHTR7 | |
| SCHEMBL3398885 | 0.78 | LSS (0.45) | HTR6ALDH1A1SRCCXCR1 | |
| SCHEMBL3670674 | 0.78 | DRD3 (0.41) | HTR6KDM4EALDH1A1 | |
| SCHEMBL3672655 | 0.78 | DRD3 (0.42) | HTR6ALDH1A1 | |
| SCHEMBL677032 | 0.77 | HTR6 (0.42) | RAB9AHTR6KDM4EALDH1A1KDR | |
| SCHEMBL675245 | 0.77 | HTR6 (0.45) | RAB9AHTR6ALDH1A1KDRL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010025872-A2 | ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2010-03-11 | — | — | WO | disclosed |