Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.68 |
| ▸ | RAB9A | P51151 | 10/20 | 0.68 |
| ▸ | CASP3 | P42574 | 2/20 | 0.68 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.68 |
| ▸ | IDO1 | P14902 | 4/20 | 0.57 |
| ▸ | TDO2 | P48775 | 4/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27993895 | 0.86 | NPC1 (0.69) | NPC1RAB9ACASP3SENP7IDO1 | |
| SCHEMBL2457696 | 0.86 | PDGFRB (0.55) | NPC1RAB9ACASP3SENP7IDO1 | |
| SCHEMBL3825995 | 0.85 | RAB9A (0.50) | NPC1RAB9ACASP3SENP7IDO1 | |
| SCHEMBL3826253 | 0.82 | RAB9A (0.55) | NPC1RAB9ACASP3SENP7IDO1 | |
| SCHEMBL2458692 | 0.81 | NPC1 (0.76) | NPC1RAB9ACASP3SENP7IDO1 | |
| SCHEMBL2428152 | 0.81 | NPC1 (1.00) | NPC1RAB9ACASP3SENP7IDO1 | |
| SCHEMBL3830664 | 0.80 | NPC1 (0.91) | NPC1RAB9ACASP3SENP7IDO1 | |
| SCHEMBL13728666 | 0.79 | NPC1 (0.56) | NPC1RAB9ACASP3SENP7IDO1 | |
| SCHEMBL27912509 | 0.79 | HSD17B1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12463736 | 0.79 | NPC1 (0.71) | NPC1RAB9ACASP3SENP7IDO1 |
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 |