Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Proline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 11/20 | 0.55 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.46 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Proline SCHEMBL1939027 | 0.91 | HRH3 (0.48) | HRH3GRIK1GRIA2KCNH2 | |
| SCHEMBL13584955 | 0.89 | HRH3 (0.54) | HRH3GRIK1GRIA2 | |
| SCHEMBL6943424 | 0.89 | HRH3 (0.54) | HRH3GRIK1GRIA2 | |
| SCHEMBL3448482 | 0.89 | HRH3 (0.54) | HRH3GRIK1GRIA2 | |
| SCHEMBL3180028 | 0.89 | HRH3 (0.54) | HRH3GRIK1GRIA2 | |
| SCHEMBL3448485 | 0.89 | HRH3 (0.54) | HRH3GRIK1GRIA2 | |
| SCHEMBL29380816 | 0.89 | HRH3 (0.54) | HRH3GRIK1GRIA2 | |
| Hydrochloric Acid SCHEMBL25363703 | 0.87 | HRH3 (0.53) | HRH3GRIK1GRIA2 | |
| SCHEMBL3459061 | 0.87 | HRH3 (0.53) | HRH3KCNH2 | |
| Hydrochloric Acid SCHEMBL5762338 | 0.82 | HRH1 (0.51) | HRH3GRIK1GRIA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010025510-A1 | LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM | XENOME LTD (AU) | 2010-03-11 | — | — | WO | disclosed |
| WO-2008077194-A1 | RECEPTOR AGONISTS | XENOME LTD (AU) | 2008-07-03 | — | — | WO | disclosed |