Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.40 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | LIPE | Q05469 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | CCR6 | P51684 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7730059 | 1.00 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL7730062 | 1.00 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL7731032 | 0.99 | ALDH1A1 (0.47) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL7731028 | 0.99 | ALDH1A1 (0.47) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL7733363 | 0.95 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL7733375 | 0.95 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL7733383 | 0.95 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL7729715 | 0.93 | ALDH1A1 (0.39) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL7729719 | 0.93 | ALDH1A1 (0.39) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL7729713 | 0.93 | ALDH1A1 (0.39) | ALDH1A1LMNAMAPTCYP2C9MEN1 |
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-0786445-B1 | DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION | CHISSO CORP (JP) | 2002-07-17 | — | — | EP | disclosed |