Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.91 |
| ▸ | RAB9A | P51151 | 7/20 | 0.91 |
| ▸ | CASP3 | P42574 | 2/20 | 0.73 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.73 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 3/20 | 0.55 |
| ▸ | TDO2 | P48775 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14102879 | 0.95 | NPC1 (1.00) | NPC1RAB9ACASP3SENP7CYP11B2 | |
| SCHEMBL12463736 | 0.86 | NPC1 (0.71) | NPC1RAB9ACASP3SENP7CYP11B2 | |
| SCHEMBL2428152 | 0.85 | NPC1 (1.00) | NPC1RAB9ACASP3SENP7CYP11B2 | |
| SCHEMBL312142 | 0.85 | NPC1 (1.00) | NPC1RAB9ACASP3SENP7IDO1 | |
| SCHEMBL30179137 | 0.85 | NPC1 (1.00) | NPC1RAB9ACASP3SENP7IDO1 | |
| SCHEMBL3825612 | 0.82 | RAB9A (0.71) | NPC1RAB9ACASP3SENP7CYP1A2 | |
| SCHEMBL29493150 | 0.80 | NPC1 (0.67) | NPC1RAB9ACASP3SENP7IDO1 | |
| SCHEMBL29838915 | 0.80 | NPC1 (0.67) | NPC1RAB9ACASP3SENP7IDO1 | |
| SCHEMBL729768 | 0.80 | NPC1 (0.67) | NPC1RAB9ACASP3SENP7IDO1 | |
| SCHEMBL3825604 | 0.80 | NPC1 (0.68) | 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 |