Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Threonine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 SCHEMBL6690171 | 0.92 | MEN1 (0.32) | — | |
| SCHEMBL4398036 | 0.81 | MEN1 (0.35) | — | |
| Glycine SCHEMBL1675339 | 0.80 | MEN1 (0.41) | — | |
| Threonine SCHEMBL27639983 | 0.79 | NOS2 (0.33) | — | |
| Threonine SCHEMBL11969543 | 0.79 | NOS2 (0.33) | — | |
| Glutamine SCHEMBL8704393 | 0.78 | MEN1 (0.33) | — | |
| Glutamine SCHEMBL8700598 | 0.78 | MEN1 (0.33) | — | |
| Threonine SCHEMBL7041491 | 0.77 | NOS2 (0.38) | — | |
| Threonine SCHEMBL1887229 | 0.77 | NOS2 (0.38) | — | |
| Threonine SCHEMBL28397150 | 0.77 | NOS2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004110470-A2 | USE OF COLLAGEN PEPTIDES TO INHIBIT INFECTION | THE UNIVERSITY OF BRISTOL (GB) | 2004-12-23 | — | — | WO | disclosed |