Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 4/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MME | P08473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5163272 | 0.83 | ACACB (0.39) | ACACBROCK2NOS2ALDH1A1HTT | |
| SCHEMBL5160875 | 0.79 | MEN1 (0.41) | ACACBROCK2NOS2ALDH1A1HTT | |
| SCHEMBL20797184 | 0.78 | ALDH1A1 (0.38) | ACACBROCK2NOS2ALDH1A1HTT | |
| SCHEMBL5162787 | 0.78 | KMT2A (0.53) | ACACBALDH1A1NAMPTKCNH2 | |
| SCHEMBL5161535 | 0.77 | ALDH1A1 (0.39) | ACACBROCK2NOS2ALDH1A1HTT | |
| SCHEMBL5178020 | 0.77 | NOS2 (0.38) | ACACBNOS2ALDH1A1HTTMME | |
| SCHEMBL8402539 | 0.76 | — | — | |
| SCHEMBL1224893 | 0.76 | ALDH1A1 (0.44) | ROCK2NOS2ALDH1A1HTTKCNH2 | |
| SCHEMBL19919505 | 0.75 | ALDH1A1 (0.40) | ACACBROCK2NOS2ALDH1A1HTT | |
| SCHEMBL5158160 | 0.75 | ACACB (0.37) | ACACBROCK2NOS2ALDH1A1HTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8293899-B2 | Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates | LANXESS DEUTSCHLAND GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| EP-1340746-B1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | SALTIGO GMBH (DE) | 2007-02-28 | — | — | EP | disclosed |
| US-20030225274-A1 | Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives | LANXESS DEUTSCHLAND GMBH (DE) | 2003-12-04 | — | — | US | disclosed |
| EP-1340746-A1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | BAYER AG (DE) | 2003-09-03 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030225274-A1 | Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives | GRHPR, HPD, HAAO | ACACB 76/4885ROCK2 4242/4885NOS2 3219/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.