Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | TEK | Q02763 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7688967 | 1.00 | ALDH1A1 (0.54) | ALDH1A1TSHRMAPTCYP1A2CYP2D6 | |
| SCHEMBL7689687 | 0.88 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPTCYP1A2CYP2D6 | |
| SCHEMBL7689684 | 0.88 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPTCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7692548 | 0.86 | ALDH1A1 (0.53) | ALDH1A1TSHRMAPTCYP1A2CYP2D6 | |
| SCHEMBL7692564 | 0.86 | ALDH1A1 (0.49) | ALDH1A1TSHRMAPTCYP1A2CYP2D6 | |
| SCHEMBL7686312 | 0.86 | ALDH1A1 (0.51) | ALDH1A1TSHRMAPTCYP1A2CYP2D6 | |
| SCHEMBL7693545 | 0.85 | ALDH1A1 (0.55) | ALDH1A1TSHRMAPTCYP1A2CYP2D6 | |
| SCHEMBL7693543 | 0.85 | ALDH1A1 (0.55) | ALDH1A1TSHRMAPTCYP1A2CYP2D6 | |
| SCHEMBL6487652 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TSHRPOLBMAPK1MEN1 | |
| SCHEMBL7693485 | 0.82 | ALDH1A1 (0.52) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 |
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 |