Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | CPA1 | P15085 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.41 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL6664871 | 0.82 | AOC1 (0.42) | AOC1CYP3A4SLC7A5CPA1NPC1 | |
| SCHEMBL6670423 | 0.81 | HRH3 (0.42) | AOC1CYP3A4NPC1TP53RAB9A | |
| SCHEMBL5163190 | 0.80 | HRH3 (0.44) | ALDH1A1CPB2CPB1HRH3HRH4 | |
| SCHEMBL5164313 | 0.79 | TP53 (0.44) | AOC1CYP3A4SLC7A5CPA1NPC1 | |
| SCHEMBL6662834 | 0.76 | TP53 (0.43) | AOC1CYP3A4NPC1TP53RAB9A | |
| SCHEMBL5163183 | 0.74 | HRH3 (0.41) | CPB2CPB1HRH3HRH4 | |
| SCHEMBL5217908 | 0.72 | — | — | |
| SCHEMBL19234747 | 0.72 | AOC1 (0.46) | AOC1CYP3A4SLC7A5CPA1NPC1 | |
| SCHEMBL1720771 | 0.71 | KDM4E (0.46) | AOC1TP53RAB9ASMN1; SMN2ALDH1A1 | |
| 4-Imidazolecarboxylic Acid SCHEMBL317725 | 0.71 | — | — |
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 |