Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | GUSB | P08236 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL2007957 | 0.93 | FAAH (0.42) | FAAHCES1CTSDGUSBALDH1A1 | |
| SCHEMBL2002817 | 0.90 | FAAH (0.40) | FAAHCES1CTSDGUSBALDH1A1 | |
| SCHEMBL2002985 | 0.90 | MAPK14 (0.37) | ALDH1A1POLBKDM4EMEN1USP2 | |
| SCHEMBL2006918 | 0.89 | FAAH (0.44) | FAAHCES1CTSDGUSBMCL1 | |
| SCHEMBL2005827 | 0.89 | LMNA (0.43) | FAAHCES1ALDH1A1POLBMEN1 | |
| SCHEMBL2004407 | 0.88 | FAAH (0.40) | FAAHCES1CTSDGUSBMCL1 | |
| SCHEMBL2002250 | 0.87 | PLA2G2A (0.43) | FAAHALDH1A1MEN1LMNAKMT2A | |
| SCHEMBL2003080 | 0.86 | ALOX5AP (0.41) | FAAHCES1LMNAKMT2ACYP3A4 | |
| SCHEMBL2005851 | 0.86 | ALDH1A1 (0.43) | ALDH1A1POLBKDM4EMEN1USP2 | |
| SCHEMBL2007743 | 0.86 | DRD2 (0.40) | ALDH1A1POLBKDM4EMEN1USP2 |
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 |