Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 4/20 | 0.43 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | F12 | P00748 | 1/20 | 0.37 |
| ▸ | KLK7 | P49862 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2008785 | 0.94 | GAA (0.46) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2004796 | 0.93 | CYP1A2 (0.45) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2002528 | 0.92 | CYP1A2 (0.48) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL1997418 | 0.92 | CYP3A4 (0.43) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2002145 | 0.91 | LMNA (0.43) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2004059 | 0.90 | S1PR1 (0.46) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2000479 | 0.89 | CYP1A2 (0.44) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2004345 | 0.89 | SMPD1 (0.41) | CYP3A4GSK3BL3MBTL1LMNATSHR | |
| SCHEMBL2005780 | 0.86 | LMNA (0.41) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2003553 | 0.85 | GSK3B (0.42) | CYP1A2CYP3A4GAACYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-7960544-B2 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-06-14 | — | — | US | disclosed |