Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL2002184 | 0.92 | PTGES2 (0.41) | HDAC6HDAC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2005851 | 0.91 | ALDH1A1 (0.43) | HDAC6HDAC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2007743 | 0.90 | DRD2 (0.40) | HDAC6HDAC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2008957 | 0.90 | LMNA (0.41) | HDAC6CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2001534 | 0.89 | HDAC6 (0.41) | HDAC6HDAC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2005239 | 0.87 | MAPT (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2003533 | 0.85 | S1PR1 (0.44) | CYP3A4CYP2D6CYP2C9SMN1; SMN2TP53 | |
| SCHEMBL1998318 | 0.85 | HDAC6 (0.44) | HDAC6HDAC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2002528 | 0.84 | CYP1A2 (0.48) | HDAC6HDAC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2006169 | 0.83 | FAAH (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |