Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3831411 | 0.93 | CASP3 (0.50) | L3MBTL1NPC1RAB9ACYP2A6TDP1 | |
| SCHEMBL807820 | 0.86 | NPC1 (0.62) | L3MBTL1NPC1RAB9ACYP2A6TDP1 | |
| SCHEMBL3832328 | 0.84 | L3MBTL1 (0.72) | L3MBTL1NPC1RAB9ACYP2A6TDP1 | |
| SCHEMBL14479276 | 0.83 | L3MBTL1 (0.47) | L3MBTL1NPC1RAB9ACYP2A6MAP4K1 | |
| SCHEMBL14102704 | 0.83 | NPC1 (0.72) | L3MBTL1NPC1RAB9ACYP2A6CYP1A2 | |
| SCHEMBL3831108 | 0.81 | CYP2A6 (0.45) | L3MBTL1NPC1RAB9ACYP2A6TDP1 | |
| SCHEMBL28963415 | 0.79 | NPC1 (0.66) | L3MBTL1NPC1RAB9ACYP2A6TDP1 | |
| SCHEMBL3828449 | 0.78 | NPC1 (0.55) | NPC1RAB9ACYP2A6CYP1A2CASP3 | |
| SCHEMBL3830028 | 0.78 | NPC1 (0.55) | NPC1RAB9ACYP2A6CYP1A2CASP3 | |
| SCHEMBL3826323 | 0.78 | NPC1 (0.50) | L3MBTL1NPC1RAB9ACYP1A2CYP2D6 |
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 |