Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2001247 | 0.94 | GAA (0.42) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2004618 | 0.94 | PTGES2 (0.43) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2009630 | 0.93 | CYP1A2 (0.45) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2004518 | 0.92 | ABCB1 (0.42) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2005430 | 0.91 | LMNA (0.41) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2002524 | 0.90 | S1PR1 (0.43) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2000292 | 0.90 | SMN1; SMN2 (0.41) | CYP3A4GSK3BMAPTSMN1; SMN2LMNA | |
| SCHEMBL2006062 | 0.89 | CYP1A2 (0.48) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2000312 | 0.87 | LMNA (0.39) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2005843 | 0.86 | GSK3B (0.40) | CYP1A2CYP3A4GAACYP2D6CYP2C9 |
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 |