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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Threonine SCHEMBL7041488 | 0.93 | NOS2 (0.33) | NOS2NOS3NOS1CYP3A4CYP2D6 | |
| SCHEMBL1887227 | 0.91 | NOS2 (0.40) | NOS2NOS3NOS1CYP3A4CYP2D6 | |
| Valine SCHEMBL2118868 | 0.86 | SLC7A5 (0.37) | NOS2NOS3NOS1 | |
| SCHEMBL527857 | 0.81 | TLR2 (0.35) | CYP3A4CYP2D6CYP1A2CYP2C19PRCP | |
| Leucine SCHEMBL6463328 | 0.81 | SLC7A5 (0.44) | NOS2NOS3NOS1CYP3A4CYP2D6 | |
| Threonine SCHEMBL7041491 | 0.80 | NOS2 (0.38) | NOS2NOS3NOS1CYP1A2CYP2C19 | |
| Threonine SCHEMBL1887229 | 0.80 | NOS2 (0.38) | NOS2NOS3NOS1CYP1A2CYP2C19 | |
| Threonine SCHEMBL28397150 | 0.80 | NOS2 (0.38) | NOS2NOS3NOS1CYP1A2CYP2C19 | |
| Threonine SCHEMBL1887225 | 0.80 | NOS2 (0.38) | NOS2NOS3NOS1CYP1A2CYP2C19 | |
| Threonine SCHEMBL27803017 | 0.80 | NOS2 (0.38) | NOS2NOS3NOS1CYP1A2CYP2C19 |
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-2003010540-A1 | METHOD OF IDENTIFYING NMDA-RELATED AGENT | NYXIS NEUROTHERAPIES, INC. (US) | 2003-02-06 | — | — | WO | disclosed |
| US-20030022253-A1 | Method for identifying, isolating and producing neuroactive binding agents and binding agents derived thereby | NYXIS NEUROTHERAPIES, INC. | 2003-01-30 | — | — | US | disclosed |