Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 4/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL1999445 | 0.93 | GRM5 (0.41) | NPC1RAB9ASMN1; SMN2GRM5PKM | |
| SCHEMBL2009569 | 0.91 | GRM5 (0.39) | NPC1RAB9ASMN1; SMN2GRM5PKM | |
| SCHEMBL2003162 | 0.91 | PLA2G2A (0.37) | PLA2G2APTGS2PKML3MBTL1MAPT | |
| SCHEMBL2005642 | 0.91 | GRM5 (0.39) | NPC1RAB9ASMN1; SMN2GRM5PKM | |
| SCHEMBL2001691 | 0.90 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2GRM5PLA2G2A | |
| SCHEMBL2001115 | 0.90 | GRM5 (0.41) | NPC1RAB9ASMN1; SMN2GRM5PKM | |
| SCHEMBL2003492 | 0.90 | PLA2G2A (0.43) | NPC1RAB9ASMN1; SMN2GRM5PLA2G2A | |
| SCHEMBL2000835 | 0.89 | PLA2G2A (0.38) | GRM5PLA2G2APTGS2MAPTTP53 | |
| SCHEMBL2003372 | 0.88 | PLA2G2A (0.38) | PLA2G2APTGS2MAPTALOX5APF2RL3 | |
| SCHEMBL2007930 | 0.88 | PLA2G2A (0.38) | NPC1RAB9ASMN1; SMN2PLA2G2APTGS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049520-A2 | INDOLE COMPOUNDS | Ironwood Pharmaceuticals, Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008019357-A2 | INDOLE COMPOUNDS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | WO | disclosed |