Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | TET3 | O43151 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | FBXL19 | Q6PCT2 | 2/20 | 0.42 |
| ▸ | CXXC5 | Q7LFL8 | 2/20 | 0.42 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.42 |
| ▸ | CXXC4 | Q9H2H0 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3098845 | 0.85 | HSD11B1 (0.59) | HSD11B1NPC1KCNH2HRH3TET3 | |
| SCHEMBL28036178 | 0.83 | RAB9A (0.55) | HSD11B1NPC1RAB9AATMKCNH2 | |
| SCHEMBL6960087 | 0.79 | CYP3A4 (0.48) | HSD11B1CYP3A4NPC1RAB9AAPP | |
| SCHEMBL378652 | 0.79 | AKR1C3 (0.59) | TET3KMT2AFBXL19CXXC5KDM2B | |
| SCHEMBL3790649 | 0.79 | KMT2A (0.51) | HSD11B1CYP3A4APPCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL6963690 | 0.78 | CYP3A4 (0.47) | HSD11B1CYP3A4NPC1RAB9A | |
| SCHEMBL5767423 | 0.78 | TACR1 (0.64) | CYP2D6KCNH2KMT2ATACR1 | |
| SCHEMBL6494230 | 0.78 | TACR1 (0.64) | CYP2D6KCNH2KMT2ATACR1 | |
| SCHEMBL5767429 | 0.78 | TACR1 (0.64) | CYP2D6KCNH2KMT2ATACR1 | |
| SCHEMBL350223 | 0.77 | HSD11B1 (0.77) | HSD11B1CCR1 |
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 | HSD11B1 3638/4885CYP3A4 1349/4885NPC1 846/4885 |
“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.