Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.38 |
| ▸ | ACACB | O00763 | 3/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.33 |
| ▸ | BAZ2A | Q9UIF9 | 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 | |
|---|---|---|---|---|
| SCHEMBL5158160 | 0.83 | ACACB (0.37) | ALDH1A1HTTROCK2ACACBNOS2 | |
| SCHEMBL5160875 | 0.80 | MEN1 (0.41) | ALDH1A1HTTROCK2ACACBNOS2 | |
| SCHEMBL19919505 | 0.80 | ALDH1A1 (0.40) | ALDH1A1HTTROCK2ACACBNOS2 | |
| SCHEMBL20797184 | 0.79 | ALDH1A1 (0.38) | ALDH1A1HTTROCK2ACACBNOS2 | |
| SCHEMBL872179 | 0.79 | — | — | |
| SCHEMBL5178020 | 0.78 | NOS2 (0.38) | ALDH1A1HTTACACBNOS2ROCK1 | |
| SCHEMBL5163553 | 0.77 | ACACB (0.38) | ALDH1A1HTTROCK2ACACBNOS2 | |
| SCHEMBL8402539 | 0.77 | — | — | |
| SCHEMBL5162787 | 0.76 | KMT2A (0.53) | ALDH1A1ACACBKCNH2 | |
| SCHEMBL5160415 | 0.75 | ALDH1A1 (0.35) | ALDH1A1HTTACACBNOS2 |
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 | ALDH1A1 273/4885HTT 1422/4885ROCK2 4242/4885 |
“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.