Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | PFKFB3 | Q16875 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FADS1 | O60427 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3409104 | 0.84 | HPGDS (0.39) | NPC1RAB9AALDH1A1HTTHPGDS | |
| SCHEMBL3404457 | 0.84 | RAB9A (0.47) | NPC1RAB9AHPGDSJAK2JAK1 | |
| SCHEMBL3413540 | 0.84 | RAB9A (0.50) | NPC1RAB9AALDH1A1JAK2JAK1 | |
| SCHEMBL4109902 | 0.83 | MAPT (0.44) | NPC1RAB9AALDH1A1HPGDSJAK2 | |
| SCHEMBL3414984 | 0.83 | AURKA (0.41) | NPC1HPGDSJAK2JAK1TYK2 | |
| SCHEMBL3403165 | 0.82 | KMT2A (0.48) | NPC1RAB9AALDH1A1HPGDSLMNA | |
| SCHEMBL3415639 | 0.82 | NPC1 (0.47) | NPC1RAB9AKDM4ETSHRSMN1; SMN2 | |
| SCHEMBL3398520 | 0.82 | RAB9A (0.38) | NPC1RAB9AALDH1A1HTTHPGDS | |
| SCHEMBL3415257 | 0.82 | HPGDS (0.46) | NPC1RAB9AALDH1A1HPGDSJAK2 | |
| SCHEMBL3411790 | 0.82 | NPC1 (0.42) | NPC1ALDH1A1HPGDSJAK2JAK1 |
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-2262789-A1 | 2-AMINOQUINOLINES | F. Hoffmann-La Roche AG (CH) | 2010-12-22 | — | — | EP | disclosed |
| WO-2009109477-A1 | 2-AMINOQUINOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-11 | — | — | WO | disclosed |