Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | PLOD2 | O00469 | 3/20 | 0.55 |
| ▸ | PLOD3 | O60568 | 3/20 | 0.55 |
| ▸ | PLOD1 | Q02809 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7160200 | 0.89 | CYP2D6 (0.45) | ALDH1A1PLOD2PLOD3PLOD1CYP2D6 | |
| SCHEMBL10607038 | 0.81 | HPGD (0.59) | ALDH1A1PLOD2PLOD3PLOD1CYP2D6 | |
| SCHEMBL5163193 | 0.81 | PLOD2 (0.58) | ALDH1A1PLOD2PLOD3PLOD1CYP2D6 | |
| SCHEMBL5160016 | 0.80 | PLOD2 (0.61) | ALDH1A1PLOD2PLOD3PLOD1KDM4E | |
| SCHEMBL5160478 | 0.79 | HCAR2 (0.41) | ALDH1A1PLOD2CYP2C19CYP2C9KDM4E | |
| SCHEMBL10948430 | 0.78 | PLOD2 (0.83) | ALDH1A1PLOD2PLOD3PLOD1CYP2D6 | |
| SCHEMBL16210738 | 0.77 | HPGD (0.53) | ALDH1A1PLOD2PLOD3PLOD1CYP2D6 | |
| SCHEMBL5710878 | 0.77 | HPGD (0.56) | ALDH1A1HPGDKDM4EKMT2ANAPRT | |
| SCHEMBL5160509 | 0.77 | P2RX7 (0.50) | ALDH1A1CYP2D6CYP2C9KDM4EMAPT | |
| SCHEMBL3001870 | 0.76 | GAA (0.56) | ALDH1A1CYP3A4KDM4EKMT2AGAA |
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 |