Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | RBP4 | P02753 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AOC1 | P19801 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5162036 | 0.98 | KDM5A (0.41) | KDM5AALDH1A1CYP2D6HRH3NPC1 | |
| SCHEMBL20924803 | 0.81 | RAB9A (0.48) | NPC1RAB9ASMN1; SMN2TP53KMT2A | |
| SCHEMBL2817211 | 0.77 | RBP4 (0.53) | KDM5AALDH1A1HRH3NPC1RAB9A | |
| SCHEMBL8820702 | 0.75 | NPC1 (0.47) | ALDH1A1CYP2D6HRH3NPC1RAB9A | |
| SCHEMBL5158070 | 0.74 | NPC1 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL5160072 | 0.73 | VNN1 (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2CHRM2 | |
| SCHEMBL5178118 | 0.72 | TSHR (0.47) | NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL5161349 | 0.72 | AOC1 (0.47) | ALDH1A1CYP2D6HRH3NPC1RAB9A | |
| SCHEMBL5163185 | 0.71 | VNN1 (0.47) | ALDH1A1NPC1RAB9ACHRM2CHRM4 | |
| SCHEMBL5160900 | 0.70 | PLOD2 (0.51) | ALDH1A1CYP2D6RAB9ASMN1; SMN2CHRM2 |
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 | KDM5A 659/4885ALDH1A1 273/4885CYP2D6 86/4885 |
“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.