Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2003239 | 0.93 | PTGES2 (0.41) | HDAC6HDAC1MAPTALDH1A1CYP1A2 | |
| SCHEMBL2004973 | 0.89 | PTGES2 (0.42) | GRIN1GRIN2BHDAC6HDAC1MAPT | |
| SCHEMBL2002287 | 0.89 | L3MBTL1 (0.39) | HDAC6HDAC1MAPTALDH1A1CYP1A2 | |
| SCHEMBL2004791 | 0.84 | MAPT (0.44) | MAPTALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2002956 | 0.84 | PTGES2 (0.44) | HDAC6HDAC1MAPTALDH1A1CYP1A2 | |
| SCHEMBL2007363 | 0.83 | ALOX5AP (0.40) | HDAC6HDAC1MAPTALDH1A1GAA | |
| SCHEMBL1998318 | 0.83 | HDAC6 (0.44) | HDAC6HDAC1MAPTALDH1A1CYP1A2 | |
| SCHEMBL2003941 | 0.83 | P2RX7 (0.38) | HDAC6HDAC1MAPTALDH1A1CYP1A2 | |
| SCHEMBL2007478 | 0.83 | PTGES2 (0.42) | HDAC6HDAC1MAPTALDH1A1CYP1A2 | |
| SCHEMBL2002482 | 0.82 | ALDH1A1 (0.44) | MAPTALDH1A1CYP1A2CYP3A4CYP2C9 |
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 |