Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 10/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.45 |
| ▸ | TSHR | P16473 | 7/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.42 |
| ▸ | USP2 | O75604 | 4/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20983884 | 0.92 | DPP4 (0.41) | CYP1A2CYP2D6CLK4TSHRCYP2C19 | |
| SCHEMBL24266825 | 0.92 | GPR3 (0.41) | TSHRMAPK1HSD17B10ALOX15L3MBTL1 | |
| SCHEMBL17252438 | 0.92 | GPR3 (0.41) | TSHRMAPK1HSD17B10ALOX15L3MBTL1 | |
| SCHEMBL22147058 | 0.90 | L3MBTL1 (0.53) | CYP1A2CYP2D6CLK4TSHRCYP2C19 | |
| SCHEMBL21149191 | 0.89 | ADORA2A (0.39) | TSHRMAPK1HSD17B10ALOX15L3MBTL1 | |
| SCHEMBL21149230 | 0.89 | ADORA2A (0.39) | TSHRMAPK1HSD17B10ALOX15L3MBTL1 | |
| SCHEMBL21149194 | 0.89 | ADORA2A (0.39) | TSHRMAPK1HSD17B10ALOX15L3MBTL1 | |
| SCHEMBL21148187 | 0.89 | ADORA2A (0.39) | TSHRMAPK1HSD17B10ALOX15L3MBTL1 | |
| SCHEMBL20983114 | 0.87 | LIMK1 (0.38) | TSHRMAPK1HSD17B10ALOX15L3MBTL1 | |
| SCHEMBL17524740 | 0.87 | NR1I3 (0.46) | HSD17B10DPP4L3MBTL1ALDH1A1MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018016742-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2018-01-25 | — | — | WO | disclosed |