Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 4/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL4061183 | 0.93 | NPC1 (0.41) | MEN1KMT2ACD274DRD4MAPK1 | |
| SCHEMBL4065754 | 0.92 | MEN1 (0.41) | MEN1KMT2AS1PR1CD274MAPK1 | |
| SCHEMBL4062041 | 0.91 | MEN1 (0.43) | MEN1KMT2AHRH3NPC1RAB9A | |
| SCHEMBL4068033 | 0.86 | MAPT (0.40) | MAPK1HSD17B10CARM1KDM4EALDH1A1 | |
| SCHEMBL4065747 | 0.86 | CHKA (0.48) | CD274NPC1RAB9AKDM4E | |
| SCHEMBL4069185 | 0.85 | HSP90AA1 (0.42) | MAPK1HRH3KDM4ELMNA | |
| SCHEMBL4061207 | 0.85 | NPC1 (0.47) | MEN1KMT2ACD274MAPK1NPC1 | |
| SCHEMBL4398308 | 0.84 | CYP11B1 (0.49) | — | |
| SCHEMBL4068393 | 0.84 | CYP19A1 (0.49) | CD274NPC1RAB9ACARM1LMNA | |
| SCHEMBL13848416 | 0.82 | TLR7 (0.39) | S1PR1DRD4HRH3NPC1RAB9A |
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-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |