Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8074148 | 0.88 | KMT2A (0.42) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1349957 | 0.84 | CES2 (0.49) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8064415 | 0.81 | CYP3A4 (0.42) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8064208 | 0.81 | LMNA (0.53) | GAALMNAALDH1A1TDP1L3MBTL1 | |
| SCHEMBL4493580 | 0.78 | DPP4 (0.44) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14814262 | 0.78 | IDO1 (0.56) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30910880 | 0.78 | IDO1 (0.56) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21831133 | 0.77 | F2RL1 (0.45) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30910896 | 0.77 | F2RL1 (0.45) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3909922 | 0.76 | CES2 (0.55) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6166072-A | Amino acid derivatives | ALLELIX NEUROSCIENCE, INC. (CA) | 2000-12-26 | — | — | US | disclosed |
| WO-1999034790-A1 | GLYCINE TRANSPORT INHIBITORS | ALLELIX NEUROSCIENCE, INC. (US) | 1999-07-15 | — | — | WO | disclosed |