Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 8/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2002012 | 0.93 | PTGES2 (0.40) | ALOX5APALOX5NPC1TP53RAB9A | |
| SCHEMBL2007600 | 0.92 | S1PR1 (0.40) | ALOX5APALOX5S1PR1NPC1TP53 | |
| SCHEMBL2008218 | 0.92 | ALOX5AP (0.41) | ALOX5APALOX5S1PR1CYP3A4CYP2D6 | |
| SCHEMBL2007194 | 0.91 | ALOX5AP (0.42) | ALOX5APALOX5S1PR1PTGS1PTGS2 | |
| SCHEMBL2003533 | 0.90 | S1PR1 (0.44) | ALOX5APALOX5S1PR1NPC1TP53 | |
| SCHEMBL2004983 | 0.90 | PTGES2 (0.42) | ALOX5APALOX5S1PR1NPC1TP53 | |
| SCHEMBL2001677 | 0.89 | PTGES2 (0.43) | ALOX5APALOX5S1PR1NPC1TP53 | |
| SCHEMBL2006720 | 0.88 | ALOX5AP (0.44) | ALOX5APALOX5SMN1; SMN2PTGES2CYP3A4 | |
| SCHEMBL2005007 | 0.88 | PTGES2 (0.40) | ALOX5APALOX5S1PR1PTGES2CYP3A4 | |
| SCHEMBL2002524 | 0.87 | S1PR1 (0.43) | ALOX5APALOX5S1PR1NPC1TP53 |
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 |