Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | LCK | P06239 | 1/20 | 0.52 |
| ▸ | FYN | P06241 | 1/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.39 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22721318 | 0.87 | CES1 (0.62) | CES2CES1LCKFYNDAO | |
| SCHEMBL4336119 | 0.82 | LCK (0.59) | CES2CES1LCKFYNDAO | |
| SCHEMBL3041357 | 0.80 | CES2 (0.54) | CES2CES1LCKFYNDAO | |
| SCHEMBL1877973 | 0.79 | — | — | |
| SCHEMBL4771815 | 0.79 | — | — | |
| SCHEMBL15988683 | 0.79 | CES2 (0.62) | CES2CES1LCKFYNDAO | |
| SCHEMBL22721312 | 0.78 | HPGD (0.65) | CES2CES1LCKFYNDAO | |
| Hydrochloric Acid SCHEMBL9864723 | 0.78 | CES2 (0.56) | CES2CES1LCKFYNDAO | |
| SCHEMBL5163099 | 0.77 | CES2 (0.50) | CES2CES1LCKFYNDAO | |
| SCHEMBL4446977 | 0.77 | CES2 (0.50) | CES2CES1LCKFYNDAO |
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 | CES2 441/4885CES1 382/4885LCK 2902/4885 |
“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.