Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 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 | |
|---|---|---|---|---|
| SCHEMBL7027705 | 0.82 | ALDH1A1 (0.48) | CYP3A4ALDH1A1CA2TSHRLMNA | |
| SCHEMBL5160947 | 0.80 | CYP3A4 (0.50) | CYP3A4TRPA1ALDH1A1KDM4E | |
| SCHEMBL7028910 | 0.80 | SLC6A3 (0.45) | CYP3A4ALDH1A1CA2TSHRLMNA | |
| SCHEMBL5160570 | 0.78 | HDAC3 (0.40) | CYP3A4ALDH1A1CA2TSHRLMNA | |
| SCHEMBL5158665 | 0.76 | LCK (0.39) | CYP3A4ALDH1A1CA2TSHRLMNA | |
| SCHEMBL7097301 | 0.76 | KMT2A (0.46) | CYP3A4ALDH1A1CA2TSHRHSD17B10 | |
| SCHEMBL5158170 | 0.76 | HDAC3 (0.39) | CYP3A4ALDH1A1CA2TSHRLMNA | |
| SCHEMBL5158380 | 0.76 | CA2 (0.37) | CYP3A4ALDH1A1CA2TSHRLMNA | |
| SCHEMBL5162394 | 0.75 | HDAC3 (0.36) | CYP3A4ALDH1A1CA2TSHRLMNA | |
| SCHEMBL1427672 | 0.74 | CA2 (0.54) | CYP3A4ALDH1A1CA2TSHRMAPK1 |
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 |