Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.40 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | GUSB | P08236 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PRCP | P42785 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2006770 | 0.94 | GRM5 (0.42) | FAAHCES1NCEH1DAGLAMAPT | |
| SCHEMBL2004420 | 0.91 | FAAH (0.44) | FAAHCES1NCEH1DAGLAMAPT | |
| SCHEMBL2001509 | 0.90 | FAAH (0.43) | FAAHCES1NCEH1DAGLAALDH1A1 | |
| SCHEMBL2006491 | 0.90 | GRM5 (0.42) | FAAHCES1NCEH1DAGLAMAPT | |
| SCHEMBL2002804 | 0.89 | NPC1 (0.45) | MAPTPKMALDH1A1GRM5NPC1 | |
| SCHEMBL2003479 | 0.89 | MAPT (0.36) | FAAHMAPTPKMGAAALDH1A1 | |
| SCHEMBL2004134 | 0.88 | SMN1; SMN2 (0.40) | FAAHCES1NCEH1DAGLAMAPT | |
| SCHEMBL2004677 | 0.85 | MAPT (0.41) | FAAHCES1NCEH1MAPTPKM | |
| SCHEMBL2003476 | 0.85 | SMPD1 (0.41) | MAPTPKMGAAALDH1A1NPC1 | |
| SCHEMBL2011254 | 0.84 | GRM5 (0.45) | FAAHCES1NCEH1DAGLAMAPT |
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 |