Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28784063 | 0.87 | PDGFRB (0.55) | NPC1RAB9ACYP1A2CYP2C19CYP2D6 | |
| SCHEMBL14102704 | 0.83 | NPC1 (0.72) | NPC1RAB9ACYP1A2CYP2C19CYP2D6 | |
| SCHEMBL3831280 | 0.83 | ALDH1A1 (0.44) | NPC1RAB9APDGFRBPDGFRAALDH1A1 | |
| SCHEMBL807820 | 0.80 | NPC1 (0.62) | NPC1RAB9ACYP1A2CYP2C19CYP2D6 | |
| SCHEMBL3318438 | 0.79 | NPC1 (0.69) | NPC1RAB9AMEN1KMT2ALMNA | |
| SCHEMBL3826324 | 0.78 | L3MBTL1 (0.50) | NPC1RAB9ACYP1A2CYP2C19CYP2D6 | |
| SCHEMBL3831411 | 0.78 | CASP3 (0.50) | NPC1RAB9ACYP1A2CYP2C19CYP2D6 | |
| Hydrochloric Acid SCHEMBL3318446 | 0.78 | NPC1 (0.67) | NPC1RAB9AMEN1KMT2ALMNA | |
| SCHEMBL8887931 | 0.76 | MEN1 (0.50) | NPC1RAB9ACYP1A2CYP2C19CYP2D6 | |
| SCHEMBL3825502 | 0.76 | CASP3 (0.49) | NPC1RAB9ACYP1A2CYP2C19CYP2D6 |
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-2099765-A2 | 5, 6, OR 7-SUBSTITUTED-3-(HETERO)ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS | Rexahn Pharmaceuticals, Inc. (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008063548-A2 | 5, 6, OR 7-SUBSTITUTED-S- (HETERO)ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS | REXAHN PHARMACEUTICALS, INC. (US) | 2008-05-29 | — | — | WO | disclosed |