Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7833590 | 0.87 | ALDH1A1 (0.38) | ALDH1A1CES2CES1NPSR1TDP1 | |
| SCHEMBL7843105 | 0.84 | NPC1 (0.38) | CES2CES1TDP1CA2CA1 | |
| SCHEMBL7508732 | 0.83 | NPC1 (0.36) | ALDH1A1CYP1A2CES2CES1TDP1 | |
| SCHEMBL7843947 | 0.83 | CES2 (0.41) | ALDH1A1CES2CES1CA2CA1 | |
| SCHEMBL7834093 | 0.77 | CES2 (0.41) | ALDH1A1CES2CES1TDP1RAB9A | |
| SCHEMBL3105019 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CES2CES1NPSR1 | |
| SCHEMBL2150940 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CES2CES1NPSR1 | |
| SCHEMBL11468389 | 0.74 | DAO (0.39) | ALDH1A1CYP1A2LMNAMEN1KMT2A | |
| SCHEMBL7847644 | 0.74 | CES2 (0.44) | ALDH1A1CYP1A2CES2CES1NPSR1 | |
| SCHEMBL3089210 | 0.74 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CES2CES1NPSR1 |
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 |