Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7687844 | 0.94 | ALDH1A1 (0.53) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7687842 | 0.94 | ALDH1A1 (0.53) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7687508 | 0.89 | ALDH1A1 (0.52) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7687509 | 0.89 | ALDH1A1 (0.52) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7689602 | 0.86 | ALDH1A1 (0.47) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7692573 | 0.85 | ALDH1A1 (0.46) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7692572 | 0.85 | ALDH1A1 (0.46) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7687663 | 0.84 | ALDH1A1 (0.37) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL7695304 | 0.83 | ADRB1 (0.50) | — | |
| SCHEMBL7694156 | 0.81 | MAOB (0.38) | ALDH1A1POLBMAPK1MEN1KMT2A |
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-2002000622-A2 | AMINOALCOHOL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-01-03 | — | — | WO | disclosed |