Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Retosiban. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR known ✓ | P30559 | 20/20 | 1.00 |
| ▸ | AVPR2 | P30518 | 2/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Retosiban SCHEMBL230301 | 1.00 | OXTR (1.00) | OXTRAVPR2 | |
| Retosiban SCHEMBL5224662 | 1.00 | OXTR (1.00) | OXTRAVPR2 | |
| Retosiban SCHEMBL29376892 | 1.00 | OXTR (1.00) | OXTRAVPR2 | |
| Retosiban SCHEMBL21255735 | 1.00 | OXTR (1.00) | OXTRAVPR2 | |
| SCHEMBL5165906 | 0.93 | OXTR (0.87) | OXTRAVPR2 | |
| SCHEMBL5166368 | 0.93 | OXTR (0.87) | OXTRAVPR2 | |
| SCHEMBL14440654 | 0.88 | OXTR (0.79) | OXTRAVPR2 | |
| SCHEMBL233458 | 0.88 | OXTR (0.79) | OXTRAVPR2 | |
| SCHEMBL232783 | 0.88 | OXTR (0.79) | OXTRAVPR2 | |
| SCHEMBL30317770 | 0.88 | OXTR (0.78) | OXTRAVPR2 |
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-20180161338-A1 | RETOSIBAN FOR THE TREATMENT OF PRE-TERM LABOUR | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-06-14 | — | — | US | disclosed |