Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.49 |
| ▸ | XDH | P47989 | 3/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1398503 | 0.91 | GRM5 (0.55) | GRM5XDH | |
| Trifluoroacetic Acid SCHEMBL3107501 | 0.84 | PTPN5 (0.56) | PTPN5 | |
| SCHEMBL28571512 | 0.83 | XDH (0.48) | GRM5XDH | |
| SCHEMBL28343052 | 0.79 | ALDH1A1 (0.50) | GRM5XDH | |
| SCHEMBL22411134 | 0.79 | GRM5 (0.53) | GRM5XDHROCK2ROCK1 | |
| SCHEMBL14114868 | 0.79 | TTR (0.51) | GRM5 | |
| SCHEMBL14226719 | 0.78 | GRM5 (0.53) | GRM5XDHROCK2ROCK1 | |
| SCHEMBL22861578 | 0.78 | XDH (0.55) | GRM5XDH | |
| SCHEMBL8176629 | 0.78 | GRM5 (0.49) | GRM5XDH | |
| SCHEMBL2038022 | 0.77 | CYP2C8 (0.56) | XDHPTPN5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8324250-B2 | Piperidine derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-20100256126-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2010-10-07 | — | — | 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 (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-20100256126-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HTR3A, OPRL1, OPRK1 | GRM5 289/4885XDH 2447/4885SYK 450/4885 |
“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.