Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.40 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8410187 | 0.83 | FFAR1 (0.44) | NAPRTCYP2D6CYP3A4LMNAADRB1 | |
| SCHEMBL7747584 | 0.81 | NAPRT (0.44) | NAPRTCYP2D6CYP3A4GABBR2GABBR1 | |
| SCHEMBL1983382 | 0.80 | CYP3A4 (0.44) | NAPRTCYP2D6CYP3A4ADRB1ADRB3 | |
| SCHEMBL10349460 | 0.79 | TSHR (0.42) | TSHRFFAR1ALDH1A1ITGB3ITGA2B | |
| SCHEMBL5163494 | 0.79 | DGAT1 (0.47) | CYP3A4CYP2C9LMNACYP2C19KMT2A | |
| SCHEMBL6334139 | 0.78 | CYP3A4 (0.43) | NAPRTCYP2D6CYP3A4ADRB1ADRB3 | |
| SCHEMBL6426357 | 0.78 | CYP3A4 (0.43) | NAPRTCYP2D6CYP3A4ADRB1ADRB3 | |
| SCHEMBL6541805 | 0.78 | CYP3A4 (0.43) | NAPRTCYP2D6CYP3A4ADRB1ADRB3 | |
| SCHEMBL8924164 | 0.77 | LMNA (0.45) | NAPRTCYP2D6CYP3A4LMNASLC6A2 | |
| SCHEMBL8689386 | 0.77 | CYP3A4 (0.42) | NAPRTCYP2D6CYP3A4ADRB1ADRB3 |
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 | NAPRT 791/4885CYP2D6 86/4885CYP3A4 7/4885 |
“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.