Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 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 |
| ▸ | GNAI1 | P63096 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2002524 | 0.94 | S1PR1 (0.43) | PTGES2CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2000479 | 0.92 | CYP1A2 (0.44) | PTGES2CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2002120 | 0.91 | ABCB1 (0.41) | ABCB1ABCC1ABCG2CYP3A4CYP1A2 | |
| SCHEMBL2004618 | 0.91 | PTGES2 (0.43) | PTGES2CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2005271 | 0.91 | TSHR (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL2001247 | 0.90 | GAA (0.42) | PTGES2CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1997418 | 0.90 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL2008959 | 0.89 | PLA2G2A (0.49) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL2009630 | 0.88 | CYP1A2 (0.45) | PTGES2CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2002012 | 0.87 | PTGES2 (0.40) | PTGES2CYP3A4CYP1A2CYP2C9CYP2C19 |
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 |