Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1997418 | 0.93 | CYP3A4 (0.43) | SMN1; SMN2NPC1RAB9ATP53NFKB1 | |
| SCHEMBL2009470 | 0.91 | S1PR1 (0.43) | S1PR1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL2005817 | 0.91 | SMPD1 (0.44) | S1PR1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL2002524 | 0.90 | S1PR1 (0.43) | S1PR1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL2006062 | 0.90 | CYP1A2 (0.48) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2004796 | 0.88 | CYP1A2 (0.45) | SMN1; SMN2NPC1RAB9ATP53NFKB1 | |
| SCHEMBL2008785 | 0.87 | GAA (0.46) | CYP1A2CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL2010014 | 0.87 | MAPK1 (0.42) | SMN1; SMN2NPC1RAB9AALOX5APALOX5 | |
| SCHEMBL2003533 | 0.86 | S1PR1 (0.44) | S1PR1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL2004134 | 0.86 | SMN1; SMN2 (0.40) | SMN1; SMN2NPC1RAB9AALOX5APALOX5 |
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 |