Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 8/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2002482 | 0.93 | ALDH1A1 (0.44) | ALOX5APALOX5CYP3A4CYP2C9PTGES2 | |
| SCHEMBL2006172 | 0.92 | ALOX5AP (0.39) | ALOX5APALOX5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2004203 | 0.92 | ALOX5AP (0.45) | ALOX5APALOX5CYP3A4CYP2C9KDM4E | |
| SCHEMBL2003159 | 0.91 | ALOX5AP (0.46) | ALOX5APALOX5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2006720 | 0.90 | ALOX5AP (0.44) | ALOX5APALOX5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2004973 | 0.90 | PTGES2 (0.42) | ALOX5APALOX5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2010014 | 0.90 | MAPK1 (0.42) | ALOX5APALOX5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2002956 | 0.88 | PTGES2 (0.44) | ALOX5APALOX5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2003533 | 0.87 | S1PR1 (0.44) | ALOX5APALOX5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2003239 | 0.87 | PTGES2 (0.41) | ALOX5APALOX5CYP3A4CYP2D6CYP2C9 |
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 |