Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | PTGIR | P43119 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2003025 | 0.91 | CNR2 (0.42) | AKR1C3AKR1C2CNR2PTGIRCYP1A2 | |
| SCHEMBL2007824 | 0.89 | AKR1C3 (0.38) | AKR1C3AKR1C2CNR2PTGIRCYP1A2 | |
| SCHEMBL2005937 | 0.88 | PTGS1 (0.40) | AKR1C3AKR1C2CNR2CYP1A2CYP2C9 | |
| SCHEMBL2002210 | 0.86 | GAA (0.36) | AKR1C3AKR1C2CNR2CYP1A2CYP2C9 | |
| SCHEMBL2002989 | 0.84 | PTGDR2 (0.39) | AKR1C3AKR1C2PTGIRCYP1A2CYP2C9 | |
| SCHEMBL2005314 | 0.81 | PTGS1 (0.47) | AKR1C3AKR1C2CNR2PTGIRCYP1A2 | |
| SCHEMBL5549756 | 0.78 | LMNA (0.59) | AKR1C3AKR1C2PTGIRCYP1A2CYP2C9 | |
| SCHEMBL2012093 | 0.78 | CNR2 (0.42) | AKR1C3AKR1C2CNR2CYP1A2CYP2C9 | |
| SCHEMBL2009837 | 0.78 | AKR1C3 (0.39) | AKR1C3AKR1C2PTGIRCYP1A2CYP2C9 | |
| SCHEMBL2004524 | 0.78 | AKR1C3 (0.39) | AKR1C3AKR1C2PTGIRCYP1A2CYP2C9 |
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 |