Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 2/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7089429 | 0.82 | PLK1 (0.41) | CES2CES1ALDH1A1LMNAAKR1C3 | |
| SCHEMBL7508723 | 0.82 | PLK1 (0.41) | CES2CES1ALDH1A1LMNAAKR1C3 | |
| SCHEMBL7845030 | 0.82 | AKR1C3 (0.46) | CES2CES1ALDH1A1LMNAKDM4E | |
| SCHEMBL8549601 | 0.82 | CES2 (0.61) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL7843862 | 0.78 | CES2 (0.46) | CES2CES1ALDH1A1AKR1C3AKR1C2 | |
| Bromide SCHEMBL6285189 | 0.77 | CES2 (0.51) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL7215388 | 0.77 | CA2 (0.54) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL10889643 | 0.76 | CES2 (0.48) | CES2CES1ALDH1A1LMNAKDM4E | |
| SCHEMBL7810937 | 0.76 | CES2 (0.52) | CES2CES1PARP1ALDH1A1ESR1 | |
| SCHEMBL7843096 | 0.75 | PLK1 (0.42) | CES2CES1ALDH1A1HDAC1HDAC6 |
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-1125932-A2 | Substituted thiazoles for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2001-08-22 | — | — | EP | disclosed |
| US-5668161-A | Substituted thiazoles for the treatment of inflammation | G.D. SEARLE & CO. (US) | 1997-09-16 | — | — | US | disclosed |