Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.55 |
| ▸ | RAB9A | P51151 | 7/20 | 0.55 |
| ▸ | CASP3 | P42574 | 2/20 | 0.55 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.55 |
| ▸ | ABL1 | P00519 | 2/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3828449 | 0.88 | NPC1 (0.55) | NPC1RAB9ACASP3SENP7CYP11B1 | |
| SCHEMBL14102704 | 0.81 | NPC1 (0.72) | NPC1RAB9ACASP3SENP7CYP11B1 | |
| SCHEMBL3824837 | 0.80 | NPC1 (0.79) | NPC1RAB9ACASP3SENP7EGFR | |
| SCHEMBL3826324 | 0.78 | L3MBTL1 (0.50) | NPC1RAB9ACASP3SENP7CYP1A2 | |
| SCHEMBL3824825 | 0.77 | NPC1 (0.77) | NPC1RAB9ACASP3SENP7CYP1A2 | |
| SCHEMBL3826270 | 0.77 | NPC1 (0.64) | NPC1RAB9ACASP3SENP7CYP1A2 | |
| SCHEMBL510241 | 0.76 | DHFR (0.43) | NPC1RAB9ACASP3SENP7CYP11B1 | |
| SCHEMBL3825642 | 0.76 | NPC1 (0.71) | NPC1RAB9ACASP3SENP7EGFR | |
| SCHEMBL1723322 | 0.75 | ACHE (0.52) | RAB9ACYP11B1CYP11B2CYP1A2CYP2A6 | |
| SCHEMBL7750 | 0.73 | CYP2A6 (0.65) | RAB9ACYP1A2CYP2A6 |
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 |