Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | RGS12 | O14924 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | PLA2G2A | P14555 | 4/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | USP14 | P54578 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4099162 | 0.92 | PLA2G2A (0.56) | ALDH1A1TSHRMEN1RGS12LMNA | |
| SCHEMBL4083920 | 0.90 | ALDH1A1 (0.60) | ALDH1A1TSHRMEN1RGS12LMNA | |
| SCHEMBL2991276 | 0.89 | ALDH1A1 (0.57) | ALDH1A1TSHRMEN1RGS12LMNA | |
| SCHEMBL2995067 | 0.87 | FAAH (0.51) | ALDH1A1TSHRMEN1RGS12LMNA | |
| SCHEMBL4083374 | 0.85 | FAAH (0.52) | ALDH1A1TSHRMEN1RGS12LMNA | |
| SCHEMBL4083893 | 0.84 | CNR2 (0.50) | ALDH1A1TSHRMEN1RGS12LMNA | |
| SCHEMBL3004214 | 0.82 | LMNA (0.53) | ALDH1A1TSHRMEN1RGS12LMNA | |
| SCHEMBL3001965 | 0.82 | MAPT (0.51) | ALDH1A1TSHRMEN1RGS12LMNA | |
| SCHEMBL3011391 | 0.81 | FAAH (0.58) | ALDH1A1TSHRMEN1RGS12LMNA | |
| SCHEMBL3004246 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TSHRMEN1RGS12LMNA |
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 |