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.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 SCHEMBL6690175 | 0.91 | SMYD3 (0.38) | SMYD3CYP1A2ALOX15CYP2C19MEN1 | |
| Proline SCHEMBL28396348 | 0.91 | SMYD3 (0.38) | SMYD3CYP1A2ALOX15CYP2C19MEN1 | |
| Proline SCHEMBL11221271 | 0.91 | SMYD3 (0.38) | SMYD3CYP1A2ALOX15CYP2C19MEN1 | |
| Threonine SCHEMBL29222895 | 0.91 | SMYD3 (0.39) | SMYD3CYP1A2ALOX15CYP2C19MEN1 | |
| Threonine SCHEMBL11969543 | 0.89 | NOS2 (0.33) | CYP1A2ALOX15CYP2C19MEN1ALDH1A1 | |
| Threonine SCHEMBL27639983 | 0.89 | NOS2 (0.33) | CYP1A2ALOX15CYP2C19MEN1ALDH1A1 | |
| Proline SCHEMBL28898904 | 0.87 | CYP1A2 (0.39) | CYP1A2ALOX15CYP2C19MEN1ALDH1A1 | |
| Proline SCHEMBL3226745 | 0.87 | CYP1A2 (0.39) | CYP1A2ALOX15CYP2C19MEN1ALDH1A1 | |
| Proline SCHEMBL1196248 | 0.87 | CYP1A2 (0.39) | CYP1A2ALOX15CYP2C19MEN1ALDH1A1 | |
| Proline SCHEMBL4406680 | 0.87 | CYP1A2 (0.39) | CYP1A2ALOX15CYP2C19MEN1ALDH1A1 |
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 |