Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 5/20 | 0.38 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RGS12 | O14924 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2002746 | 0.94 | F2RL3 (0.37) | F2RL3CYP3A4CYP2C9ALOX5APMAPT | |
| SCHEMBL2002780 | 0.93 | ACHE (0.44) | ACHEPLA2G2AOPRK1CYP3A4CYP2C9 | |
| SCHEMBL2002525 | 0.93 | LMNA (0.38) | OPRK1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL2006911 | 0.91 | PLA2G2A (0.37) | ACHEPLA2G2AF2RL3CYP3A4CYP2C9 | |
| SCHEMBL2002269 | 0.91 | LMNA (0.35) | OPRK1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL2006531 | 0.91 | PLA2G2A (0.41) | ACHEPLA2G2AF2RL3CYP3A4CYP2C9 | |
| SCHEMBL2008123 | 0.90 | ACHE (0.41) | ACHEPLA2G2ACYP3A4CYP2C9CYP1A2 | |
| SCHEMBL2001338 | 0.90 | LMNA (0.40) | OPRK1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL1999915 | 0.90 | L3MBTL1 (0.39) | OPRK1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL2003372 | 0.89 | PLA2G2A (0.38) | ACHEPLA2G2AF2RL3OPRK1CYP3A4 |
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 |