Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | P4HTM | Q9NXG6 | 5/20 | 0.55 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.48 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9516029 | 0.90 | NPC1 (0.50) | NPC1RAB9AKDM4EALDH1A1P4HTM | |
| SCHEMBL9566751 | 0.88 | NPC1 (0.52) | NPC1RAB9AKDM4EALDH1A1P4HTM | |
| SCHEMBL9566769 | 0.87 | KDM4E (0.57) | NPC1RAB9AKDM4EALDH1A1P4HTM | |
| SCHEMBL9566825 | 0.87 | P4HTM (0.66) | NPC1RAB9AKDM4EALDH1A1P4HTM | |
| SCHEMBL9566868 | 0.87 | CXCR2 (0.60) | NPC1RAB9AALDH1A1P4HTMCXCR1 | |
| SCHEMBL9566756 | 0.87 | RAB9A (0.57) | NPC1RAB9AKDM4EALDH1A1P4HTM | |
| SCHEMBL9566760 | 0.86 | RAB9A (0.60) | NPC1RAB9AKDM4EALDH1A1P4HTM | |
| SCHEMBL9566795 | 0.86 | P4HTM (0.59) | NPC1RAB9AALDH1A1P4HTMMEN1 | |
| SCHEMBL9566812 | 0.85 | P4HTM (0.59) | NPC1RAB9AKDM4EALDH1A1P4HTM | |
| SCHEMBL9518001 | 0.85 | SMN1; SMN2 (0.55) | NPC1RAB9AALDH1A1P4HTMMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0533130-A1 | 2-Hydroxymethylpyridines, the corresponding pyridine-N-oxides and derivatives thereof, process for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-03-24 | — | — | EP | disclosed |