Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | MGAM | O43451 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5160087 | 0.85 | ALDH1A1 (0.58) | ALDH1A1MAPTGAAHPGDHDAC8 | |
| SCHEMBL1460111 | 0.81 | KMT2A (0.57) | ALDH1A1MAPTGAAHPGDHDAC8 | |
| SCHEMBL4312684 | 0.80 | MGAM (0.56) | ALDH1A1MAPTGAAHPGDHDAC8 | |
| SCHEMBL5159809 | 0.80 | ALDH1A1 (0.51) | ALDH1A1MAPTGAAHPGDHDAC8 | |
| SCHEMBL9664008 | 0.79 | ALDH1A1 (0.60) | ALDH1A1MAPTGAAHPGDHDAC8 | |
| SCHEMBL7660084 | 0.78 | MGAM (0.53) | ALDH1A1MAPTGAAHPGDHDAC8 | |
| SCHEMBL5068303 | 0.76 | KDM4E (0.45) | ALDH1A1KDM4E | |
| SCHEMBL5158144 | 0.76 | ALDH1A1 (0.57) | ALDH1A1MAPTGAAHPGDHDAC8 | |
| SCHEMBL6231398 | 0.76 | MGAM (0.44) | ALDH1A1MAPTGAAHPGDMGAM | |
| SCHEMBL24141771 | 0.75 | ALDH1A1 (0.43) | ALDH1A1MAPTGAAHPGDKDM4E |
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 6 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-7345180-B2 | Compound inhibiting dipeptidyl peptidase IV | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 2008-03-18 | — | — | 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-20060229286-A1 | Compound inhibiting dipeptidyl peptidase IV | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 2006-10-12 | — | — | 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 (2 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 273/4885MAPT 4661/4885GAA 1272/4885 |
| US-20060229286-A1 | Compound inhibiting dipeptidyl peptidase IV | DPP4, DPP3, DPP7 | ALDH1A1 2457/4885MAPT 4195/4885GAA 2030/4885 |
“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.