Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1722167 | 1.00 | CYP2C9 (0.38) | CYP2C9TSHRCYP2C19TDP1S1PR2 | |
| SCHEMBL4374384 | 0.87 | S1PR2 (0.32) | CYP2C9TSHRCYP2C19TDP1S1PR2 | |
| SCHEMBL13248929 | 0.87 | FUCA1 (0.37) | CYP2C9TSHRCYP2C19TDP1S1PR2 | |
| SCHEMBL1763282 | 0.87 | — | — | |
| SCHEMBL13535333 | 0.87 | — | — | |
| SCHEMBL2699869 | 0.84 | — | — | |
| SCHEMBL2699865 | 0.84 | — | — | |
| SCHEMBL2699867 | 0.84 | — | — | |
| SCHEMBL24449419 | 0.82 | — | — | |
| SCHEMBL22151837 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1455777-B1 | GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | SMITHKLINE BEECHAM PLC (GB) | 2007-11-21 | — | — | EP | disclosed |
| WO-2005049023-A1 | GLYT1 TRANSPORTER INHIBITORS | GLAXO GROUP LIMITED (GB) | 2005-06-02 | — | — | WO | disclosed |
| WO-2003055478-A1 | GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-07-10 | — | — | WO | disclosed |