Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA5 | P30532 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2005007 | 0.94 | PTGES2 (0.40) | PTGES2S1PR1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2001677 | 0.94 | PTGES2 (0.43) | PTGES2S1PR1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2001534 | 0.93 | HDAC6 (0.41) | PTGES2S1PR1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2004314 | 0.92 | RET (0.39) | PTGES2S1PR1RETCHRNB2CHRNA5 | |
| SCHEMBL2002012 | 0.92 | PTGES2 (0.40) | PTGES2CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL2009136 | 0.91 | MAPT (0.40) | PTGES2CYP3A4HDAC6TBXAS1MAPT | |
| SCHEMBL2004598 | 0.90 | ALOX5AP (0.41) | PTGES2S1PR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2002572 | 0.90 | HSD17B10 (0.36) | PTGES2S1PR1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2002184 | 0.89 | PTGES2 (0.41) | PTGES2CYP1A2CYP3A4CYP2C19GAA | |
| SCHEMBL2004561 | 0.88 | RET (0.38) | PTGES2S1PR1CYP3A4RETCHRNB2 |
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 |