Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.61 |
| ▸ | RAB9A | P51151 | 5/20 | 0.61 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.59 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.59 |
| ▸ | CASP3 | P42574 | 2/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.56 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.53 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.48 |
| ▸ | TOP1 | P11387 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3825612 | 0.86 | RAB9A (0.71) | NPC1RAB9APDGFRBPDGFRACASP3 | |
| SCHEMBL3830100 | 0.84 | NPC1 (0.71) | NPC1RAB9APDGFRBPDGFRACASP3 | |
| SCHEMBL3318438 | 0.84 | NPC1 (0.69) | NPC1RAB9APDGFRBPDGFRACASP3 | |
| SCHEMBL3826270 | 0.84 | NPC1 (0.64) | NPC1RAB9ACASP3SENP7CLK4 | |
| Hydrochloric Acid SCHEMBL3318446 | 0.83 | NPC1 (0.67) | NPC1RAB9APDGFRBPDGFRACASP3 | |
| SCHEMBL2458692 | 0.83 | NPC1 (0.76) | NPC1RAB9APDGFRBPDGFRACASP3 | |
| SCHEMBL2457696 | 0.81 | PDGFRB (0.55) | NPC1RAB9APDGFRBPDGFRACASP3 | |
| SCHEMBL13458067 | 0.80 | DYRK1A (0.61) | NPC1RAB9APDGFRBPDGFRACLK4 | |
| SCHEMBL3825604 | 0.78 | NPC1 (0.68) | NPC1RAB9ACASP3SENP7ALDH1A1 | |
| SCHEMBL13870935 | 0.77 | PDGFRB (0.61) | NPC1RAB9APDGFRBPDGFRACLK4 |
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 |