Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 14/20 | 0.46 |
| ▸ | DPP8 | Q6V1X1 | 5/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL1873065 | 0.84 | DPP4 (0.37) | DPP4RAB9AHSD11B1 | |
| SCHEMBL1869744 | 0.82 | DPP4 (0.58) | DPP4DPP8HSP90AA1HSP90AB1 | |
| SCHEMBL1913162 | 0.74 | CRHR1 (0.42) | DPP4DPP8KDM4EALDH1A1RAB9A | |
| SCHEMBL1868542 | 0.74 | DHFR (0.46) | KDM4EALDH1A1RAB9AAHR | |
| SCHEMBL1872945 | 0.74 | DPP4 (0.40) | DPP4ALDH1A1 | |
| SCHEMBL14298945 | 0.73 | GABRP (0.37) | KDM4EALDH1A1GAA | |
| SCHEMBL1872526 | 0.73 | DPP4 (0.39) | DPP4ALDH1A1RAB9AHSD11B1 | |
| SCHEMBL1868986 | 0.73 | GPBAR1 (0.45) | DPP4DPP8CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL1872305 | 0.73 | GPBAR1 (0.45) | DPP4 | |
| SCHEMBL6647942 | 0.73 | DPP4 (0.69) | DPP4DPP8CYP3A4AHR |
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 8 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 |
| 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 | DPP4 1927/4885DPP8 2585/4885HSP90AA1 4536/4885 |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | DPP4 1927/4885DPP8 2585/4885HSP90AA1 4536/4885 |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | DPP4 1927/4885DPP8 2585/4885HSP90AA1 4536/4885 |
“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.