Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | ACP3 | P15309 | 2/20 | 0.37 |
| ▸ | CMA1 | P23946 | 2/20 | 0.37 |
| ▸ | CTSG | P08311 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL4661280 | 1.00 | ESR1 (0.42) | ESR1ESR2SLC22A12ALDH1A1KDM4E | |
| SCHEMBL4661470 | 1.00 | ESR1 (0.42) | ESR1ESR2SLC22A12ALDH1A1KDM4E | |
| SCHEMBL4659951 | 1.00 | ESR1 (0.42) | ESR1ESR2SLC22A12ALDH1A1KDM4E | |
| SCHEMBL4661381 | 0.85 | ESR1 (0.41) | ESR1ESR2SLC22A12ALDH1A1KDM4E | |
| SCHEMBL4660073 | 0.85 | ESR1 (0.41) | ESR1ESR2SLC22A12ALDH1A1KDM4E | |
| SCHEMBL4661442 | 0.85 | ESR1 (0.55) | ESR1ESR2SLC22A12ALDH1A1KDM4E | |
| SCHEMBL6406635 | 0.85 | ESR1 (0.55) | ESR1ESR2SLC22A12ALDH1A1KDM4E | |
| SCHEMBL4659967 | 0.85 | ESR1 (0.55) | ESR1ESR2SLC22A12ALDH1A1KDM4E | |
| SCHEMBL4661506 | 0.85 | ESR1 (0.55) | ESR1ESR2SLC22A12ALDH1A1KDM4E | |
| SCHEMBL6401602 | 0.85 | ESR1 (0.55) | ESR1ESR2SLC22A12ALDH1A1KDM4E |
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 1 patent. 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 | 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 1987/4885SLC22A12 346/4885 |
“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.