Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1678107 | 1.00 | CYP3A4 (0.37) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL7515532 | 0.79 | HDAC8 (0.38) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL2349389 | 0.78 | TSHR (0.52) | KDM4ETSHR | |
| SCHEMBL1546683 | 0.78 | TSHR (0.52) | KDM4ETSHR | |
| SCHEMBL1546681 | 0.78 | TSHR (0.52) | KDM4ETSHR | |
| SCHEMBL4452260 | 0.77 | SMN1; SMN2 (0.50) | CYP19A1CYP17A1CYP51A1SLC6A2SLC6A4 | |
| SCHEMBL4452256 | 0.77 | SMN1; SMN2 (0.50) | CYP19A1CYP17A1CYP51A1SLC6A2SLC6A4 | |
| SCHEMBL23237307 | 0.75 | ESR1 (0.42) | KDM4EESR1ESR2TAAR1CYP2C9 | |
| SCHEMBL23237367 | 0.75 | AOC3 (0.47) | KDM4EESR1ESR2IDO1ALDH1A1 | |
| SCHEMBL16691088 | 0.75 | SLC6A2 (0.35) | CYP3A4CYP19A1SLC6A2SLC6A4SLC6A3 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040181058-A1 | Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives | LANXESS DEUTSCHLAND GMBH (DE) | 2004-09-16 | — | — | US | claimed |
| CN-1497048-A | Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative | 拜尔公司 | 2004-05-19 | — | — | CN | claimed |
| EP-1405917-A2 | Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction | Bayer Chemicals AG (DE) | 2004-04-07 | — | — | EP | claimed |
| EP-1405917-B1 | Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction | SALTIGO GMBH (DE) | 2013-08-14 | — | — | EP | disclosed |
| CN-100510093-C | Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative | SALTIGO GMBH (DE) | 2009-07-08 | — | — | CN | disclosed |
| US-7553970-B2 | Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives | LANXESS DEUTSCHLAND GMBH (DE) | 2009-06-30 | — | — | US | disclosed |
| US-20060264641-A1 | Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives | BERENDES FRANK | 2006-11-23 | — | — | US | disclosed |
| US-20040181058-A1 | Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives | LANXESS DEUTSCHLAND GMBH (DE) | 2004-09-16 | — | — | US | disclosed |
| CN-1497048-A | Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative | 拜尔公司 | 2004-05-19 | — | — | CN | disclosed |
| EP-1405917-A2 | Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction | Bayer Chemicals AG (DE) | 2004-04-07 | — | — | 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-20040181058-A1 | Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives | HPD, HAAO, GRHPR | CYP3A4 29/4885CYP19A1 359/4885CYP17A1 87/4885 |
| US-20060264641-A1 | Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives | HPD, HAAO, GRHPR | CYP3A4 29/4885CYP19A1 359/4885CYP17A1 87/4885 |
“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.