Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.57 |
| ▸ | DRD3 | P35462 | 1/20 | 0.57 |
| ▸ | IDO1 | P14902 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | FLT3 | P36888 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | DAO | P14920 | 1/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5164244 | 0.85 | IDO1 (0.59) | DRD2DRD3IDO1KDM4EALDH1A1 | |
| SCHEMBL9397179 | 0.83 | DRD2 (0.74) | DRD2DRD3KDM4EALDH1A1GAA | |
| SCHEMBL9666519 | 0.81 | IDO1 (0.62) | DRD2DRD3IDO1KDM4EALDH1A1 | |
| SCHEMBL2730199 | 0.81 | IDO1 (0.66) | DRD2DRD3IDO1KDM4EALDH1A1 | |
| SCHEMBL30148093 | 0.81 | IDO1 (0.66) | DRD2DRD3IDO1KDM4EALDH1A1 | |
| SCHEMBL6555431 | 0.79 | NPC1 (0.68) | IDO1KDM4EALDH1A1GAAMAPK1 | |
| SCHEMBL5160957 | 0.79 | IDO1 (0.59) | DRD2DRD3IDO1KDM4EALDH1A1 | |
| SCHEMBL9633071 | 0.78 | IDO1 (0.62) | DRD2DRD3IDO1KDM4EALDH1A1 | |
| SCHEMBL5164287 | 0.78 | KDM4E (0.71) | DRD2DRD3IDO1KDM4EALDH1A1 | |
| SCHEMBL5161490 | 0.78 | IDO1 (0.55) | DRD2DRD3IDO1KDM4EALDH1A1 |
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 3 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 |
| 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 | DRD2 1395/4885DRD3 966/4885IDO1 854/4885 |
“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.