Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | IGF1R | P08069 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2908838 | 1.00 | NPC1 (0.36) | NPC1RAB9ATSHRNPY5RHRH4 | |
| SCHEMBL2909652 | 0.83 | NPC1 (0.39) | NPC1RAB9ATSHRNPY5RHTT | |
| SCHEMBL2901511 | 0.82 | NPC1 (0.38) | NPC1RAB9ATSHRNPY5RHRH4 | |
| SCHEMBL2907255 | 0.75 | KMT2A (0.31) | MAPK1KMT2AALDH1A1LMNA | |
| SCHEMBL2906805 | 0.74 | NPC1 (0.46) | NPC1RAB9ATSHRNPY5RHRH4 | |
| SCHEMBL2245184 | 0.74 | NPC1 (0.39) | NPC1RAB9ATSHRNPY5RHRH4 | |
| SCHEMBL2908410 | 0.73 | NPC1 (0.46) | NPC1RAB9ATSHRNPY5RMAPK1 | |
| SCHEMBL2245273 | 0.71 | BRD4 (0.41) | NPC1RAB9ATSHRNPY5RHTT | |
| SCHEMBL2907371 | 0.71 | MAPT (0.45) | NPC1RAB9ATSHRHTTMEN1 | |
| SCHEMBL2907292 | 0.71 | NPC1 (0.42) | NPC1RAB9ATSHRNPY5RMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7825253-B2 | 2-aminoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-11-02 | — | — | US | claimed |
| EP-2076495-B1 | QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES | HOFFMANN LA ROCHE (CH) | 2010-08-18 | — | — | EP | claimed |
| US-7825253-B2 | 2-aminoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-11-02 | — | — | US | disclosed |