Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23557563 | 0.76 | ESR1 (0.41) | ESR1ESR2NR1H2NR1H3MAPT | |
| SCHEMBL17886084 | 0.76 | ESR1 (0.41) | ESR1ESR2NR1H2NR1H3MAPT | |
| SCHEMBL28893523 | 0.74 | ESR1 (0.39) | ESR1ESR2NR1H2NR1H3MAPT | |
| SCHEMBL14777395 | 0.72 | ESR1 (0.32) | ESR1ESR2NR1H2NR1H3 | |
| SCHEMBL2012876 | 0.72 | SLC6A2 (0.39) | ESR1ESR2LMNA | |
| SCHEMBL22555841 | 0.72 | HTR2A (0.39) | ESR1ESR2LMNATSHR | |
| SCHEMBL16178123 | 0.72 | SLC6A2 (0.39) | ESR1ESR2LMNA | |
| SCHEMBL5068915 | 0.72 | NR1H2 (0.52) | ESR1ESR2NR1H2NR1H3LMNA | |
| SCHEMBL7147840 | 0.72 | ESR1 (0.38) | ESR1ESR2NR1H2NR1H3MAPT | |
| SCHEMBL5569284 | 0.72 | NR1H2 (0.40) | ESR1ESR2NR1H2NR1H3TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1483228-B1 | NK1 ANTAGONISTS | SCHERING CORP (US) | 2010-06-02 | — | — | EP | disclosed |
| CN-100506776-C | NK1 antagonists | SCHERING CORP (US) | 2009-07-01 | — | — | CN | disclosed |
| CN-1653025-A | NK1Antagonists | SCHERING CORP (US) | 2005-08-10 | — | — | CN | disclosed |
| US-6878732-B2 | NK1 antagonists | SCHERING CORPORATION (US) | 2005-04-12 | — | — | US | disclosed |
| EP-1483228-A1 | NK1 ANTAGONISTS | SCHERING CORPORATION (US) | 2004-12-08 | — | — | EP | disclosed |
| US-20040072854-A1 | NK1 antagonists | SCHERING CORPORATION | 2004-04-15 | — | — | US | disclosed |
| WO-2003078376-A1 | NK1 ANTAGONISTS | SCHERING CORPORATION (US) | 2003-09-25 | — | — | 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-20040072854-A1 | NK1 antagonists | PROKR1, CRHR1, BDKRB2 | ESR1 1880/4885ESR2 1372/4885NR1H2 2695/4885 |
“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.