Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | ROS1 | P08922 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10968 | 0.85 | — | — | |
| Acetamide SCHEMBL9932795 | 0.75 | ADORA2B (0.36) | EGFRCYP1A2 | |
| SCHEMBL29569135 | 0.74 | KDM4E (0.37) | KDM4EALOX12POLBSMN1; SMN2LMNA | |
| Benzofuran SCHEMBL28034570 | 0.74 | CTNNB1 (0.42) | KDM4ESMN1; SMN2LMNANPC1RAB9A | |
| Quinoline SCHEMBL28169251 | 0.71 | ALDH1A1 (0.68) | PARP1KDM4EPOLBSMN1; SMN2HTT | |
| SCHEMBL23017579 | 0.70 | ALDH1A1 (0.46) | KDM4EPOLBSMN1; SMN2LMNAHTT | |
| Phosphoric Acid SCHEMBL11749614 | 0.69 | KDM4E (0.31) | KDM4EALOX12POLB | |
| Quinoline SCHEMBL28169361 | 0.69 | ALDH1A1 (0.65) | PARP1KDM4EPOLBSMN1; SMN2HTT | |
| Benzofuran SCHEMBL3892079 | 0.68 | CTNNB1 (0.47) | PARP1POLBSMN1; SMN2LMNANPC1 | |
| SCHEMBL29569000 | 0.67 | CYP2A6 (0.35) | KDM4ESMN1; SMN2LMNAHTTTP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105777751-A | Bisaryl maleimide compound and pharmaceutically acceptable salt thereof, and preparation method and application thereof | 浙江工业大学 | 2016-07-20 | — | — | CN | disclosed |