Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.53 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | CTSB | P07858 | 4/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CASP6 | P55212 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| 4-Nitroquinoline-1-Oxide SCHEMBL21114410 | 0.80 | MAPT (0.56) | MAPTNPC1RAB9AKDM4EHTT | |
| 4-Nitroquinoline-1-Oxide SCHEMBL105454 | 0.80 | MAPT (0.56) | MAPTNPC1RAB9AKDM4EHTT | |
| 4-Nitroquinoline-1-Oxide SCHEMBL29367999 | 0.80 | MAPT (0.56) | MAPTNPC1RAB9AKDM4EHTT | |
| 4-Nitroquinoline-1-Oxide SCHEMBL140249 | 0.73 | MAPT (0.51) | MAPTNPC1RAB9AKDM4EHTT | |
| SCHEMBL2796338 | 0.71 | TDP1 (0.59) | MAPTNPC1RAB9AKDM4EHTT | |
| SCHEMBL7788656 | 0.71 | TDP1 (0.80) | MAPTNPC1RAB9AKDM4EHTT | |
| SCHEMBL8754365 | 0.70 | TDP1 (0.57) | MAPTNPC1RAB9AKDM4EHTT | |
| SCHEMBL27992850 | 0.69 | ALDH1A1 (0.81) | MAPTKDM4ECTSBTDP1ALDH1A1 | |
| SCHEMBL5157864 | 0.69 | MAPT (1.00) | MAPTNPC1RAB9AKDM4EHTT | |
| SCHEMBL31237966 | 0.69 | MAPT (1.00) | MAPTNPC1RAB9AKDM4EHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-9029378-B2 | Substituted bicyclic aromatic carboxamide and urea compounds as vanilloid receptor ligands | GRUENENTHAL GMBH (DE) | 2015-05-12 | — | — | US | disclosed |