Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.51 |
| ▸ | ESR1 | P03372 | 5/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.45 |
| ▸ | CTRC | Q99895 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | IL4 | P05112 | 1/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12970466 | 0.83 | ESR2 (0.74) | ESR2ESR1BACE1MAOAMAOB | |
| SCHEMBL25520053 | 0.79 | ESR1 (0.43) | ESR2ESR1BACE1MAOAMAOB | |
| SCHEMBL11282447 | 0.78 | KDM4E (0.47) | ESR2CTRB1CTRCKDM4EIL4 | |
| SCHEMBL13399634 | 0.77 | NPC1 (0.46) | ESR2ESR1BACE1MAOAMAOB | |
| SCHEMBL25521798 | 0.77 | MAOB (0.41) | ESR2ESR1BACE1MAOAMAOB | |
| SCHEMBL28992118 | 0.77 | ESR1 (0.80) | ESR2ESR1MAOAMAOBMEN1 | |
| SCHEMBL8956262 | 0.77 | ESR1 (0.50) | ESR2ESR1BACE1MAOAMAOB | |
| SCHEMBL20660350 | 0.76 | BACE1 (0.53) | ESR2ESR1BACE1MAOAMAOB | |
| SCHEMBL26613560 | 0.76 | BACE1 (0.52) | ESR2ESR1BACE1MAOAMAOB | |
| SCHEMBL25522215 | 0.76 | ESR1 (0.40) | ESR2ESR1BACE1MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-4462994-A | O-ARYLPHOSPHATE DERIVATIVE OF QUINOXALINE | NISSAN CHEMICAL INDUSTRIES, INC. (JP) | 1984-07-31 | — | — | US | disclosed |
| EP-0065287-A2 | N-containing heterocyclic ring-substituted O-arylphosphate derivatives, preparation thereof, and insecticides containing said derivatives | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1982-11-24 | — | — | EP | disclosed |