Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | FABP7 | O15540 | 1/20 | 0.37 |
| ▸ | FABP3 | P05413 | 1/20 | 0.37 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4659967 | 1.00 | ESR1 (0.55) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL4659928 | 1.00 | ESR1 (0.55) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL6406635 | 1.00 | ESR1 (0.55) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL4661506 | 1.00 | ESR1 (0.55) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL4661442 | 1.00 | ESR1 (0.55) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL4661443 | 0.90 | ESR1 (0.50) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL5683225 | 0.90 | ESR1 (0.50) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL4135203 | 0.89 | ESR1 (0.54) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL4659909 | 0.89 | ESR1 (0.54) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL4659901 | 0.89 | ESR1 (0.54) | ESR1ESR2MEN1KMT2AALDH1A1 |
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 1987/4885MEN1 2575/4885 |
“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.