Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CPN1 | P15169 | 1/20 | 0.37 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4670634 | 0.75 | RAB9A (0.40) | CES2CES1KEAP1RAB9ANPC1 | |
| SCHEMBL4673078 | 0.74 | CES2 (0.42) | CES2CES1CPN1CPB2CYP2C19 | |
| SCHEMBL4676045 | 0.74 | MEN1 (0.40) | CES2CES1RAB9ANPC1ALDH1A1 | |
| SCHEMBL4672734 | 0.73 | CPN1 (0.39) | CPN1CPB2HDAC1HDAC2 | |
| SCHEMBL4674068 | 0.72 | SLC6A2 (0.40) | RAB9ANPC1MEN1KMT2ACYP2D6 | |
| SCHEMBL9049032 | 0.71 | RAB9A (0.51) | CES2CES1KEAP1RAB9ANPC1 | |
| SCHEMBL229300 | 0.69 | ALDH1A1 (0.51) | CES2CES1RAB9ANPC1ALDH1A1 | |
| SCHEMBL1877298 | 0.68 | CES2 (0.44) | CES2CES1RAB9ANPC1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL228752 | 0.68 | ALDH1A1 (0.50) | CES2CES1RAB9ANPC1ALDH1A1 | |
| Bromide SCHEMBL10964629 | 0.68 | ALDH1A1 (0.50) | CES2CES1RAB9ANPC1ALDH1A1 |
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-1899324-A2 | BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | Theravance, Inc. (US) | 2008-03-19 | — | — | EP | disclosed |
| WO-2006127815-A2 | BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2006-11-30 | — | — | WO | disclosed |