Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 3/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4067194 | 0.93 | MEN1 (0.41) | NPC1RAB9ADRD4MAPK1HSD17B10 | |
| SCHEMBL4061207 | 0.92 | NPC1 (0.47) | NPC1RAB9ATP53MAPK1HSD17B10 | |
| SCHEMBL4065747 | 0.89 | CHKA (0.48) | NPC1RAB9ATP53PDCD1CD274 | |
| SCHEMBL13848416 | 0.89 | TLR7 (0.39) | NPC1RAB9ATP53KDRTLR9 | |
| SCHEMBL4065754 | 0.85 | MEN1 (0.41) | NPC1RAB9ATP53MAPK1HSD17B10 | |
| SCHEMBL4062041 | 0.84 | MEN1 (0.43) | NPC1RAB9AMEN1KMT2A | |
| SCHEMBL4068033 | 0.84 | MAPT (0.40) | MAPK1HSD17B10KDM4ELMNATSHR | |
| SCHEMBL4069185 | 0.84 | HSP90AA1 (0.42) | MAPK1KDM4ELMNASMN1; SMN2 | |
| SCHEMBL4398308 | 0.82 | CYP11B1 (0.49) | — | |
| SCHEMBL4068393 | 0.82 | CYP19A1 (0.49) | NPC1RAB9ATP53CD274LMNA |
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 |