Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.47 |
| ▸ | IKBKB | O14920 | 3/20 | 0.47 |
| ▸ | RAF1 | P04049 | 3/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.47 |
| ▸ | AKT1 | P31749 | 3/20 | 0.47 |
| ▸ | AKT2 | P31751 | 3/20 | 0.47 |
| ▸ | KDR | P35968 | 3/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.47 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.47 |
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.47 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.47 |
| ▸ | NEK1 | Q96PY6 | 3/20 | 0.47 |
| ▸ | PRKAB1 | Q9Y478 | 3/20 | 0.47 |
| ▸ | PRDX1 | Q06830 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28054895 | 0.98 | NPC1 (0.54) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL6400581 | 0.85 | MAPK1 (0.50) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL6403613 | 0.83 | NPC1 (0.42) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL15051734 | 0.81 | MAPK1 (0.53) | NPC1RAB9AMEN1KMT2AATM | |
| Hydrochloric Acid SCHEMBL457860 | 0.79 | MAPK1 (0.51) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL28235285 | 0.79 | MAPK1 (0.51) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL13503846 | 0.78 | NPC1 (0.54) | NPC1RAB9AMEN1KMT2AATM | |
| Cyclohexane SCHEMBL9193794 | 0.77 | RAB9A (0.58) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL28214806 | 0.76 | MAPK1 (0.66) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL6398533 | 0.74 | MAPK1 (0.47) | NPC1RAB9AMEN1KMT2AATM |
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-1997019924-A1 | CYCLOHEXYLMETHYL- AND CYCLOHEXYLIDENEMETHYL PYRIDINES, PROCESSES FOR THEIR PRODUCTION, AGENTS CONTAINING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1997-06-05 | — | — | WO | disclosed |