Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Rovatirelin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRHR known ✓ | P34981 | 3/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.36 |
| ▸ | REN | P00797 | 8/20 | 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 | |
|---|---|---|---|---|
| Rovatirelin SCHEMBL14306794 | 1.00 | DPP4 (0.42) | DPP4DPP8DPP9TRHRCAPN1 | |
| Rovatirelin SCHEMBL27063670 | 1.00 | DPP4 (0.42) | DPP4DPP8DPP9TRHRCAPN1 | |
| Rovatirelin SCHEMBL20811796 | 1.00 | DPP4 (0.42) | DPP4DPP8DPP9TRHRCAPN1 | |
| Rovatirelin SCHEMBL27063662 | 1.00 | DPP4 (0.42) | DPP4DPP8DPP9TRHRCAPN1 | |
| Rovatirelin SCHEMBL5176249 | 0.99 | DPP4 (0.43) | DPP4DPP8DPP9TRHRCAPN1 | |
| SCHEMBL23367834 | 0.84 | DPP4 (0.42) | DPP4DPP8DPP9TRHRCAPN1 | |
| SCHEMBL5737104 | 0.83 | CAPN1 (0.44) | CAPN1REN | |
| SCHEMBL5737097 | 0.83 | CAPN1 (0.44) | CAPN1REN | |
| SCHEMBL5734974 | 0.83 | CAPN1 (0.44) | CAPN1REN | |
| SCHEMBL5734967 | 0.83 | CAPN1 (0.44) | CAPN1REN |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080027116-A1 | Pharmaceutical Composition for Treating Spinocerebellar Ataxia | SHIONOGI & CO., LTD. (JP) | 2008-01-31 | — | — | 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-20080027116-A1 | Pharmaceutical Composition for Treating Spinocerebellar Ataxia | ATXN10, ATXN2, SMN1; SMN2 | TRHR 2496/4885DPP4 3629/4885DPP8 3338/4885 |
“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.