Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CTSE | P14091 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5964510 | 1.00 | MMP1 (0.39) | MMP1MMP3MMP9ALDH1A1CCR1 | |
| SCHEMBL5963959 | 0.83 | HSD11B1 (0.39) | ALDH1A1RAB9ATSHR | |
| SCHEMBL9370277 | 0.78 | SMN1; SMN2 (0.48) | MMP1MMP3MMP9ALDH1A1CCR1 | |
| SCHEMBL4185591 | 0.77 | HSD11B1 (0.44) | ALDH1A1CCR1CCR2KDM4ETSHR | |
| SCHEMBL9374220 | 0.76 | SOAT1 (0.49) | ALDH1A1CYP3A4CYP2C19HTTTSHR | |
| SCHEMBL4179392 | 0.75 | HSD11B1 (0.39) | ALDH1A1RAB9A | |
| SCHEMBL4179389 | 0.75 | HSD11B1 (0.39) | ALDH1A1RAB9A | |
| SCHEMBL4179397 | 0.75 | HSD11B1 (0.39) | ALDH1A1RAB9A | |
| SCHEMBL4184940 | 0.74 | NPSR1 (0.39) | ALDH1A1RAB9AKDM4E | |
| SCHEMBL4185422 | 0.74 | HSD11B1 (0.38) | ALDH1A1RAB9ANPBWR1 |
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-0681568-B1 | PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND BETA-LACTAM INTERMEDIATES THEREFOR | UNIV NEW YORK STATE RES FOUND (US) | 2006-07-26 | — | — | EP | disclosed |