Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | AGER | Q15109 | 2/20 | 0.42 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL675884 | 0.91 | NPC1 (0.42) | NPC1RAB9ADRD3HRH4ALK | |
| SCHEMBL3721481 | 0.85 | NPC1 (0.41) | NPC1RAB9ATP53HPGDDRD3 | |
| SCHEMBL3721483 | 0.85 | NPC1 (0.41) | NPC1RAB9ATP53HPGDDRD3 | |
| SCHEMBL3434232 | 0.85 | DRD3 (0.46) | NPC1RAB9ATP53HPGDDRD3 | |
| SCHEMBL675056 | 0.84 | HRH4 (0.52) | NPC1RAB9ADRD3HRH4ALK | |
| SCHEMBL675885 | 0.83 | DRD3 (0.43) | NPC1RAB9ATP53HPGDDRD3 | |
| SCHEMBL3730839 | 0.83 | DRD3 (0.43) | NPC1RAB9ATP53HPGDDRD3 | |
| SCHEMBL675883 | 0.83 | RAB9A (0.41) | NPC1RAB9ADRD3HRH4AGER | |
| SCHEMBL3733141 | 0.82 | LSS (0.42) | RAB9ATLR8TLR7HRH3 | |
| SCHEMBL3433578 | 0.82 | ALK (0.49) | NPC1RAB9ADRD3HRH4ALK |
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-2010025872-A2 | ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2010-03-11 | — | — | WO | disclosed |
| 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 |