Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4660129 | 1.00 | ESR1 (0.44) | ESR1ESR2L3MBTL1MEN1KMT2A | |
| SCHEMBL4661527 | 0.93 | ESR1 (0.41) | ESR1ESR2L3MBTL1MEN1KMT2A | |
| SCHEMBL4661523 | 0.93 | ESR1 (0.41) | ESR1ESR2L3MBTL1MEN1KMT2A | |
| SCHEMBL4662668 | 0.93 | ESR1 (0.41) | ESR1ESR2L3MBTL1MEN1KMT2A | |
| SCHEMBL4662666 | 0.93 | ESR1 (0.41) | ESR1ESR2L3MBTL1MEN1KMT2A | |
| SCHEMBL4766931 | 0.91 | ESR1 (0.42) | ESR1ESR2L3MBTL1MEN1KMT2A | |
| SCHEMBL4722949 | 0.91 | ESR1 (0.42) | ESR1ESR2L3MBTL1MEN1KMT2A | |
| SCHEMBL5686577 | 0.90 | MAPK1 (0.45) | ESR1ESR2L3MBTL1MEN1KMT2A | |
| SCHEMBL4660100 | 0.90 | MAPK1 (0.45) | ESR1ESR2L3MBTL1MEN1KMT2A | |
| SCHEMBL4659905 | 0.90 | MAPK1 (0.45) | ESR1ESR2L3MBTL1MEN1KMT2A |
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-20050004164-A1 | 2-Cyanopropanoic acid amide and ester derivatives and methods of their use | WYETH | 2005-01-06 | — | — | US | claimed |
| EP-1620102-A2 | 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS | Wyeth (US) | 2006-02-01 | — | — | EP | disclosed |
| US-20050004164-A1 | 2-Cyanopropanoic acid amide and ester derivatives and methods of their use | WYETH | 2005-01-06 | — | — | US | disclosed |
| WO-2004099150-A2 | 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS | WYETH (US) | 2004-11-18 | — | — | WO | 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-20050004164-A1 | 2-Cyanopropanoic acid amide and ester derivatives and methods of their use | HCAR2, PCCA, MCCC2 | ESR1 4557/4885ESR2 1987/4885L3MBTL1 4004/4885 |
“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.