Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5158390 | 0.82 | NOS2 (0.38) | NOS2ACACBALDH1A1HTTMME | |
| SCHEMBL13306666 | 0.79 | NOS2 (0.41) | NOS2ACACBALDH1A1HTTMME | |
| SCHEMBL5162792 | 0.79 | NOS2 (0.38) | NOS2ACACBALDH1A1HTTMME | |
| SCHEMBL12323324 | 0.74 | ALDH1A1 (0.51) | NOS2ACACBALDH1A1HTTKCNH2 | |
| SCHEMBL930016 | 0.73 | ALDH1A1 (0.43) | NOS2ALDH1A1HTTKCNH2ROCK2 | |
| SCHEMBL29864 | 0.73 | — | — | |
| SCHEMBL659350 | 0.73 | ACACB (0.50) | NOS2ACACBMMEROCK2ROCK1 | |
| SCHEMBL19100007 | 0.72 | CA12 (0.48) | NOS2ACACBALDH1A1HTTLMNA | |
| Fluoride SCHEMBL14830353 | 0.71 | — | — | |
| SCHEMBL1641505 | 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 |