Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.45 |
| ▸ | ESR1 | P03372 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9500501 | 0.91 | CYP2C9 (0.47) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9870071 | 0.90 | CYP2C9 (0.46) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9500198 | 0.88 | PTGER2 (0.46) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9499399 | 0.88 | PTGER2 (0.46) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9500518 | 0.88 | PTGER2 (0.46) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9498692 | 0.88 | PTGER2 (0.46) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9869683 | 0.88 | PTGER2 (0.46) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9500840 | 0.87 | ALDH1A1 (0.50) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9317544 | 0.83 | CYP2C9 (0.55) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL4803893 | 0.83 | CYP2C9 (0.69) | CYP2C9ALDH1A1LMNAMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5076947-A | Optically active; free from temperature dependence | CHISSO CORPORATION (JP) | 1991-12-31 | — | — | US | disclosed |
| EP-0354655-A2 | 1-Phenyl-1-propanol derivatives | CHISSO CORPORATION (JP) | 1990-02-14 | — | — | EP | disclosed |