Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.56 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | CASP3 | P42574 | 2/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.45 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CDC25A | P30304 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | CDC25C | P30307 | 1/20 | 0.43 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.43 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3829219 | 0.95 | NPC1 (0.51) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL28934094 | 0.85 | NPC1 (0.59) | NPC1RAB9ACASP3SENP7TP53 | |
| SCHEMBL3824837 | 0.84 | NPC1 (0.79) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL3825642 | 0.80 | NPC1 (0.71) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL27992750 | 0.80 | NPC1 (0.53) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL28289931 | 0.80 | NPC1 (0.53) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL28963415 | 0.79 | NPC1 (0.66) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL28044842 | 0.79 | NPC1 (0.49) | NPC1RAB9ACASP3SENP7 | |
| SCHEMBL6703629 | 0.78 | CCR1 (0.53) | NPC1RAB9AKDM4EALDH1A1GAA | |
| SCHEMBL509297 | 0.77 | KDM4E (0.54) | NPC1RAB9AKDM4EALDH1A1GAA |
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 |