Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | GCGR | P47871 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | GAK | O14976 | 1/20 | 0.37 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.37 |
| ▸ | COQ8A | Q8NI60 | 1/20 | 0.37 |
| ▸ | NLK | Q9UBE8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL4662623 | 0.99 | ESR1 (0.41) | ESR1ESR2P2RX7HTR2CHTR2B | |
| SCHEMBL4662626 | 0.98 | ESR1 (0.41) | ESR1ESR2P2RX7HTR2CHTR2B | |
| SCHEMBL4659913 | 0.90 | ESR1 (0.42) | ESR1ESR2P2RX7HTR2CHTR2B | |
| SCHEMBL13938655 | 0.84 | ESR1 (0.54) | ESR1ESR2KDM4EMAPTRAB9A | |
| SCHEMBL4135203 | 0.84 | ESR1 (0.54) | ESR1ESR2KDM4EMAPTRAB9A | |
| SCHEMBL4660016 | 0.80 | KDM4E (0.38) | ESR1ESR2P2RX7HTR2CHTR2B | |
| SCHEMBL4660107 | 0.78 | ALPL (0.43) | ESR1ESR2KDM4EMAPTRAB9A | |
| SCHEMBL4660037 | 0.77 | KDM4E (0.39) | HTR2CHTR2BGCGRKDM4EMAPT | |
| SCHEMBL4662659 | 0.76 | ESR1 (0.53) | ESR1ESR2KDM4EMAPTRAB9A | |
| SCHEMBL4661489 | 0.76 | ESR1 (0.53) | ESR1ESR2KDM4EMAPTRAB9A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070299105-A1 | 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use | WYETH (US) | 2007-12-27 | — | — | US | claimed |
| EP-1620102-B1 | 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS | WYETH CORP (US) | 2008-12-24 | — | — | EP | disclosed |
| US-20070299105-A1 | 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use | WYETH (US) | 2007-12-27 | — | — | US | disclosed |
| EP-1620102-A2 | 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS | Wyeth (US) | 2006-02-01 | — | — | EP | disclosed |
| US-20050256132-A1 | Use of ER selective NF-kB inhibitors for the treatment of sepsis | WYETH (US) | 2005-11-17 | — | — | US | 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 (3 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-20050256132-A1 | Use of ER selective NF-kB inhibitors for the treatment of sepsis | NFKBIA, IKBKB, NFKB2 | ESR1 10/4885ESR2 11/4885P2RX7 2746/4885 |
| US-20070299105-A1 | 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use | HCAR2, PCCA, MCCC2 | ESR1 4478/4885ESR2 1808/4885P2RX7 2603/4885 |
| US-20050004164-A1 | 2-Cyanopropanoic acid amide and ester derivatives and methods of their use | HCAR2, PCCA, MCCC2 | ESR1 4557/4885ESR2 1987/4885P2RX7 3191/4885 |
“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.