Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9826837 | 0.81 | CYP3A4 (0.41) | GPR3CYP3A4ALDH1A1TDP1HPGD | |
| SCHEMBL11339200 | 0.81 | GPR3 (0.38) | GPR3CYP3A4ALDH1A1TDP1HPGD | |
| SCHEMBL30076337 | 0.76 | MEN1 (0.38) | GPR3CYP3A4ALDH1A1TDP1HPGD | |
| SCHEMBL19135997 | 0.76 | MEN1 (0.38) | GPR3CYP3A4ALDH1A1TDP1HPGD | |
| SCHEMBL22714098 | 0.73 | GPR3 (0.48) | GPR3CYP3A4CES1MAPTTRPV1 | |
| SCHEMBL24246067 | 0.72 | MAPK1 (0.41) | GPR3CYP3A4TDP1CES1KDM4E | |
| SCHEMBL22573124 | 0.72 | MAPK1 (0.34) | TDP1MAPK1 | |
| SCHEMBL20798330 | 0.72 | CYP3A4 (0.38) | CYP3A4ALDH1A1TDP1HPGDMAPK1 | |
| SCHEMBL180952 | 0.72 | TSHR (0.45) | GPR3CYP3A4ALDH1A1TDP1MAPT | |
| SCHEMBL6411536 | 0.72 | GPR3 (0.44) | GPR3CYP3A4CES1MAPTTRPV1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2004607-A2 | NEW COMPOUNDS | Novartis AG (CH) | 2008-12-24 | — | — | EP | disclosed |
| EP-1896412-A2 | OXINDOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2008-03-12 | — | — | EP | disclosed |
| WO-2007126957-A2 | NEW COMPOUNDS | NOVARTIS AG (CH) | 2007-11-08 | — | — | WO | disclosed |
| WO-2006136606-A2 | OXINDOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-12-28 | — | — | WO | disclosed |