Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | AOC1 | P19801 | 4/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 5/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.38 |
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.37 |
| ▸ | LOX | P28300 | 1/20 | 0.37 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL1868986 | 0.82 | GPBAR1 (0.45) | CYP1A2CYP3A4CYP2D6LOXL2LOX | |
| SCHEMBL1875897 | 0.78 | ABL1 (0.42) | ABL1 | |
| SCHEMBL31031701 | 0.77 | CYP17A1 (0.45) | CYP1A2CYP17A1ABL1PTGS2TDO2 | |
| SCHEMBL1873973 | 0.77 | DPP4 (0.43) | PRMT5WDR77LOXL2LOXLOXL3 | |
| SCHEMBL1872305 | 0.75 | GPBAR1 (0.45) | ABL1LOXL2LOXLOXL3 | |
| SCHEMBL1872301 | 0.75 | MAP4K1 (0.40) | CYP1A2CYP3A4CYP17A1ABL1MAP4K1 | |
| SCHEMBL1872945 | 0.73 | DPP4 (0.40) | ABL1LOXL2LOXLOXL3 | |
| SCHEMBL24250694 | 0.73 | NOS3 (0.42) | CYP1A2CYP3A4CYP2D6LOXL2LOX | |
| SCHEMBL1869744 | 0.72 | DPP4 (0.58) | LOXL2LOXLOXL3 | |
| SCHEMBL12097688 | 0.72 | GPBAR1 (0.43) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 |
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 6 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 |
| 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 |
| US-20050090533-A1 | Dual NK1/NK3 receptor antagonists | F. HOFMANN-LA ROCHE AG (CH) | 2005-04-28 | — | — | 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 (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 | CYP1A2 2368/4885CYP2E1 3443/4885CYP3A4 3029/4885 |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | CYP1A2 2368/4885CYP2E1 3443/4885CYP3A4 3029/4885 |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | CYP1A2 2368/4885CYP2E1 3443/4885CYP3A4 3029/4885 |
“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.