Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | RGS12 | O14924 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2003372 | 0.92 | PLA2G2A (0.38) | OPRK1ACHECYP3A4CYP2C9MAPT | |
| SCHEMBL2001936 | 0.90 | OPRK1 (0.36) | OPRK1FAAHCYP2C9ALDH1A1LMNA | |
| SCHEMBL2004726 | 0.89 | OPRK1 (0.42) | OPRK1ACHECYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL2002574 | 0.88 | FAAH (0.42) | OPRK1FAAHALDH1A1LMNAMAPT | |
| SCHEMBL2003477 | 0.87 | LMNA (0.40) | OPRK1FAAHCYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL2004659 | 0.87 | KDM4E (0.37) | OPRK1FAAHCYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL2004340 | 0.86 | F2RL3 (0.37) | OPRK1FAAHLMNAMAPTALOX5AP | |
| SCHEMBL2006197 | 0.86 | ACHE (0.39) | OPRK1ACHECYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL2002529 | 0.85 | PLA2G2A (0.43) | CYP3A4CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL2004657 | 0.85 | FAAH (0.38) | OPRK1FAAHCYP3A4CYP2C9MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049520-A2 | INDOLE COMPOUNDS | Ironwood Pharmaceuticals, Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008019357-A2 | INDOLE COMPOUNDS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | WO | disclosed |