Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2003185 | 0.94 | PTGES2 (0.41) | PTGES2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2008741 | 0.94 | PTGES2 (0.44) | PTGES2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2009227 | 0.92 | CYP1A2 (0.42) | PTGES2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2002122 | 0.92 | PTGES2 (0.41) | PTGES2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2010466 | 0.91 | RET (0.38) | PTGES2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2002364 | 0.91 | MAPT (0.41) | PTGES2CYP3A4L3MBTL1LMNAKDM4E | |
| SCHEMBL2004592 | 0.90 | ALOX5AP (0.41) | PTGES2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2006431 | 0.90 | MAPK1 (0.50) | CYP3A4FAAHCES1LMNAMAPK1 | |
| SCHEMBL2003845 | 0.89 | RAB9A (0.45) | PTGES2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2005003 | 0.88 | PTGES2 (0.43) | PTGES2CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |