Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.52 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21994268 | 0.86 | NPC1 (0.42) | CLK4ADRB2CYP2A6CYP1A1CYP1A2 | |
| SCHEMBL6685962 | 0.86 | CLK4 (0.64) | CLK4ADRB2CYP2A6CYP1A2DYRK1A | |
| SCHEMBL16625771 | 0.83 | CLK4 (0.61) | CLK4ADRB2CYP2A6CYP1A2DYRK1A | |
| SCHEMBL25490680 | 0.79 | METAP2 (0.45) | CLK4ADRB2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL28489616 | 0.77 | METAP2 (0.39) | CLK4ADRB2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL29637613 | 0.76 | CLK4 (0.54) | CLK4ADRB2CYP2A6DYRK1ANPC1 | |
| SCHEMBL29637614 | 0.76 | CLK4 (0.54) | CLK4ADRB2CYP2A6DYRK1ANPC1 | |
| SCHEMBL3157659 | 0.76 | RAB9A (0.64) | CLK4ADRB2CYP2A6CYP1A2NPC1 | |
| SCHEMBL29637612 | 0.76 | CLK4 (0.54) | CLK4ADRB2CYP2A6DYRK1ANPC1 | |
| SCHEMBL22044262 | 0.75 | TP53 (0.67) | CYP1A2NPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016022970-A1 | DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |
| EP-2161319-A2 | Benzo(c)phenanthrene derivatives and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2010-03-10 | — | — | EP | disclosed |