Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | PTPRB | P23467 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | CIT | O14578 | 1/20 | 0.39 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.39 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12028836 | 0.85 | ALDH1A1 (0.46) | ALDH1A1PTPRBLTA4HESR1ESR2 | |
| SCHEMBL15080944 | 0.85 | ALDH1A1 (0.46) | ALDH1A1PTPRBLTA4HESR1ESR2 | |
| SCHEMBL27278675 | 0.84 | ALDH1A1 (0.45) | ALDH1A1PTPRBLTA4HESR1ESR2 | |
| SCHEMBL20865324 | 0.84 | CA12 (0.48) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11563068 | 0.84 | ALDH1A1 (0.45) | ALDH1A1PTPRBLTA4HESR1ESR2 | |
| SCHEMBL7902861 | 0.83 | ALDH1A1 (0.49) | ALDH1A1PTPRBLTA4HESR1ESR2 | |
| SCHEMBL27278672 | 0.82 | L3MBTL1 (0.54) | ALDH1A1PTPRBLTA4HCA12CA1 | |
| SCHEMBL22427551 | 0.82 | L3MBTL1 (0.54) | ALDH1A1PTPRBLTA4HCA12CA1 | |
| Hydrochloric Acid SCHEMBL7902859 | 0.81 | ALDH1A1 (0.51) | ALDH1A1PTPRBLTA4HESR1ESR2 | |
| SCHEMBL30519915 | 0.81 | TP53 (0.54) | ALDH1A1LTA4HCA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1474405-A2 | PROCESS FOR THE PREPARATION OF 4-HETERO-SUBSTITUTED PHENYLALANINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2004-11-10 | — | — | EP | disclosed |
| WO-2003068725-A2 | PROCESS FOR THE PREPARATION OF 4-HETERO-SUBSTITUTED PHENYLALANINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2003-08-21 | — | — | WO | disclosed |