Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 6/20 | 0.40 |
| ▸ | TPMT | P51580 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | RXRB | P28702 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | PGK1 | P00558 | 1/20 | 0.36 |
| ▸ | PGK2 | P07205 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17231782 | 0.86 | CES2 (0.44) | RXRARXRBPGK1PGK2 | |
| SCHEMBL14372746 | 0.79 | TPMT (0.46) | CNR2TPMTRXRARXRBCNR1 | |
| SCHEMBL27621137 | 0.77 | MAPT (0.54) | CNR2TPMTRXRARXRBCNR1 | |
| SCHEMBL1203024 | 0.77 | CNR2 (0.42) | CNR2TPMTRXRARXRBCNR1 | |
| SCHEMBL1878363 | 0.76 | CES2 (0.39) | RXRARXRBHTTPOLBSMN1; SMN2 | |
| SCHEMBL1202442 | 0.76 | CES2 (0.50) | RXRARXRBALDH1A1 | |
| SCHEMBL11673202 | 0.75 | KMT2A (0.44) | ALDH1A1HTTPOLBTYRSMN1; SMN2 | |
| SCHEMBL8059052 | 0.74 | PGK1 (0.42) | CNR2TPMTRXRARXRBCNR1 | |
| SCHEMBL1873446 | 0.72 | ALDH1A1 (0.44) | RXRAALDH1A1CA2POLBSMN1; SMN2 | |
| SCHEMBL8744593 | 0.72 | CA2 (0.50) | ALDH1A1HTTL3MBTL1CA2POLB |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8404708-B2 | Dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN TORSTEN | 2011-07-21 | — | — | US | disclosed |
| US-7939533-B2 | Dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-05-10 | — | — | US | disclosed |
| CN-1852712-B | Dual NK1/NK3 antagonists for treating schizophrenia | HOFFMANN LA ROCHE | 2010-06-09 | — | — | CN | disclosed |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN TORSTEN | 2009-05-28 | — | — | US | disclosed |
| EP-1643998-B1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | HOFFMANN LA ROCHE (CH) | 2007-08-29 | — | — | EP | disclosed |
| CN-1852712-A | Dual NK1/NK3 antagonists for treating schizophrenia | HOFFMANN LA ROCHE (CH) | 2006-10-25 | — | — | CN | disclosed |
| EP-1643998-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| US-20050090533-A1 | Dual NK1/NK3 receptor antagonists | F. HOFMANN-LA ROCHE AG (CH) | 2005-04-28 | — | — | US | disclosed |
| WO-2005002577-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-13 | — | — | 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-20050090533-A1 | Dual NK1/NK3 receptor antagonists | TACR2, TAC3, TACR1 | CNR2 142/4885TPMT 3341/4885RXRA 3487/4885 |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | CNR2 142/4885TPMT 3341/4885RXRA 3487/4885 |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | CNR2 142/4885TPMT 3341/4885RXRA 3487/4885 |
“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.