Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2004157 | 0.94 | RAB9A (0.43) | RAB9ANPC1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL2000862 | 0.93 | PTGES2 (0.43) | RAB9ANPC1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL1999932 | 0.92 | RAB9A (0.46) | RAB9ANPC1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL2001738 | 0.92 | CYP3A4 (0.44) | RAB9ANPC1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL2003660 | 0.90 | RAB9A (0.40) | RAB9ANPC1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL2003580 | 0.90 | MAPT (0.44) | RAB9ACYP3A4L3MBTL1PTGES2KDM4E | |
| SCHEMBL2010014 | 0.89 | MAPK1 (0.42) | RAB9ANPC1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL2004532 | 0.89 | PTGES2 (0.42) | RAB9ANPC1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL2002340 | 0.89 | MAPK1 (0.55) | RAB9ACYP3A4FAAHCES1LMNA | |
| SCHEMBL2004973 | 0.87 | PTGES2 (0.42) | RAB9ANPC1CYP1A2CYP2C19CYP3A4 |
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 |