Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2002749 | 0.93 | NPC1 (0.41) | NPC1SMN1; SMN2RAB9ATP53MAPT | |
| SCHEMBL2003533 | 0.92 | S1PR1 (0.44) | S1PR1NPC1SMN1; SMN2RAB9ATP53 | |
| SCHEMBL2007918 | 0.92 | ALOX5AP (0.40) | S1PR1SMN1; SMN2MAPTLMNAALOX5AP | |
| SCHEMBL2005122 | 0.91 | S1PR1 (0.38) | S1PR1SMN1; SMN2MAPTLMNAALOX5AP | |
| SCHEMBL2007600 | 0.91 | S1PR1 (0.40) | S1PR1NPC1SMN1; SMN2RAB9ATP53 | |
| SCHEMBL2006916 | 0.91 | LMNA (0.37) | NPC1SMN1; SMN2RAB9ATP53MAPT | |
| SCHEMBL2004109 | 0.89 | LMNA (0.36) | NPC1SMN1; SMN2RAB9ATP53NFKB1 | |
| SCHEMBL2006526 | 0.88 | L3MBTL1 (0.39) | NPC1RAB9AMAPTLMNAPKM | |
| SCHEMBL2009470 | 0.88 | S1PR1 (0.43) | S1PR1NPC1SMN1; SMN2RAB9ATP53 | |
| SCHEMBL2006172 | 0.87 | ALOX5AP (0.39) | SMN1; SMN2MAPTLMNAKMT2ACYP19A1 |
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 |