Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.69 |
| ▸ | RAB9A | P51151 | 2/20 | 0.69 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.66 |
| ▸ | MMP2 | P08253 | 2/20 | 0.63 |
| ▸ | MMP9 | P14780 | 2/20 | 0.63 |
| ▸ | MMP8 | P22894 | 2/20 | 0.63 |
| ▸ | MMP13 | P45452 | 2/20 | 0.63 |
| ▸ | SCD | O00767 | 1/20 | 0.62 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.61 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.61 |
| ▸ | PAK4 | O96013 | 1/20 | 0.61 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.61 |
| ▸ | LTK | P29376 | 1/20 | 0.61 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.61 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.61 |
| ▸ | CDK8 | P49336 | 1/20 | 0.61 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.61 |
| ▸ | PRKX | P51817 | 1/20 | 0.61 |
| ▸ | NEK2 | P51955 | 1/20 | 0.61 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL12944775 | 0.97 | NPC1 (0.66) | NPC1RAB9AHPSEMMP2MMP9 | |
| SCHEMBL13599850 | 0.92 | NPC1 (0.81) | NPC1RAB9AHPSEMMP2MMP9 | |
| SCHEMBL13183701 | 0.90 | NPC1 (0.78) | NPC1RAB9AHPSEMMP2MMP9 | |
| SCHEMBL7388566 | 0.87 | GUSB (0.57) | NPC1RAB9AHPSEMMP2MMP9 | |
| SCHEMBL7248166 | 0.86 | CHEK1 (0.69) | NPC1RAB9ASCDCHEK1PRKD3 | |
| SCHEMBL6124301 | 0.85 | NPC1 (0.71) | NPC1RAB9AHPSEMMP2MMP9 | |
| SCHEMBL20677813 | 0.84 | NPC1 (0.75) | NPC1RAB9AHPSEMMP2MMP9 | |
| SCHEMBL21018195 | 0.84 | CHEK1 (0.81) | NPC1RAB9ASCDCHEK1PRKD3 | |
| SCHEMBL6322764 | 0.84 | ALDH1A1 (0.76) | NPC1RAB9AHPSEMMP2MMP9 | |
| SCHEMBL276208 | 0.83 | NPC1 (0.73) | NPC1RAB9AHPSEMMP2MMP9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001066526-A1 | ESTER DERIVATIVES OF DIMETHYLPROPIONIC ACID AND PHARMACETUICAL COMPOSITIONS CONTAINING THEM | CERMOL S.A. (CH) | 2001-09-13 | — | — | WO | disclosed |
| EP-1132381-A1 | Ester derivatives of dimethylpropionic acid and pharmaceutical compositions containing them | CERMOL S.A. (CH) | 2001-09-12 | — | — | EP | disclosed |