Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 3/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2008081 | 0.93 | FAAH (0.41) | FAAHCES1CYP3A4CYP2C9 | |
| SCHEMBL2005379 | 0.91 | FAAH (0.44) | FAAHCES1 | |
| SCHEMBL2000385 | 0.91 | FAAH (0.38) | FAAHCES1PLA2G2A | |
| SCHEMBL2008885 | 0.90 | LMNA (0.41) | FAAHMEN1RGS12ALDH1A1LMNA | |
| SCHEMBL2003856 | 0.90 | FAAH (0.40) | FAAHCES1 | |
| SCHEMBL2004225 | 0.90 | PLA2G2A (0.45) | FAAHMEN1RGS12ALDH1A1LMNA | |
| SCHEMBL2001886 | 0.90 | FAAH (0.46) | FAAHCES1MEN1RGS12ALDH1A1 | |
| SCHEMBL2007791 | 0.89 | PLA2G2A (0.49) | FAAHCES1MEN1RGS12ALDH1A1 | |
| SCHEMBL2001846 | 0.89 | FAAH (0.41) | FAAHCES1 | |
| SCHEMBL2004726 | 0.89 | OPRK1 (0.42) | MEN1RGS12ALDH1A1LMNACYP1A2 |
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 |