Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL5162792 | 0.80 | NOS2 (0.38) | ALDH1A1MME | |
| SCHEMBL5158380 | 0.80 | CA2 (0.37) | ALDH1A1CA2CYP3A4TSHRMAPK1 | |
| SCHEMBL7027705 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CA2CYP3A4TSHRMAPK1 | |
| SCHEMBL5158170 | 0.78 | HDAC3 (0.39) | ALDH1A1CA2CYP3A4TSHRMAPK1 | |
| SCHEMBL5160570 | 0.77 | HDAC3 (0.40) | ALDH1A1CA2CYP3A4TSHRMAPK1 | |
| SCHEMBL5160451 | 0.76 | L3MBTL1 (0.47) | ALDH1A1TSHRLMNAHDAC3HDAC1 | |
| SCHEMBL7028910 | 0.76 | SLC6A3 (0.45) | ALDH1A1CA2CYP3A4TSHRMAPK1 | |
| SCHEMBL5162981 | 0.75 | GPR84 (0.34) | CA2MAPK1MME | |
| SCHEMBL5163170 | 0.74 | ALDH1A1 (0.39) | ALDH1A1CA2CYP3A4TSHRMAPK1 | |
| SCHEMBL5163190 | 0.74 | HRH3 (0.44) | ALDH1A1HRH4HRH3 |
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-1340746-B1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | SALTIGO GMBH (DE) | 2007-02-28 | — | — | EP | disclosed |
| EP-1340746-A1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | BAYER AG (DE) | 2003-09-03 | — | — | EP | disclosed |