Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CTRC | Q99895 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21930661 | 1.00 | EGFR (0.38) | EGFRPIM3DPP4CYP1A2CTRC | |
| SCHEMBL20391688 | 0.98 | EGFR (0.37) | EGFRPIM3DPP4CYP1A2CTRC | |
| SCHEMBL19802135 | 0.94 | PIM3 (0.41) | PIM3KDM4ELIMK1ROCK1 | |
| SCHEMBL20391998 | 0.94 | PIM3 (0.41) | PIM3KDM4ELIMK1ROCK1 | |
| SCHEMBL19802119 | 0.94 | PIM3 (0.41) | PIM3KDM4ELIMK1ROCK1 | |
| SCHEMBL24216417 | 0.94 | PIM3 (0.41) | PIM3KDM4ELIMK1ROCK1 | |
| SCHEMBL22329241 | 0.94 | PIM3 (0.41) | PIM3KDM4ELIMK1ROCK1 | |
| SCHEMBL22140779 | 0.94 | PIM3 (0.41) | PIM3KDM4ELIMK1ROCK1 | |
| SCHEMBL24231220 | 0.94 | PIM3 (0.41) | PIM3KDM4ELIMK1ROCK1 | |
| SCHEMBL19802544 | 0.94 | PIM3 (0.41) | PIM3KDM4ELIMK1ROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110431136-B | Material for organic electroluminescent device | 默克专利有限公司 | 2023-05-23 | — | — | CN | disclosed |
| EP-3596066-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-05-18 | — | — | EP | disclosed |