Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PAM | P19021 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28085046 | 0.79 | CES1 (0.55) | CES2CES1AKR1B1NOS2HIF1A | |
| SCHEMBL7373328 | 0.78 | CES1 (0.48) | CES2CES1AKR1B1NOS2HIF1A | |
| SCHEMBL27374049 | 0.77 | ALDH1A1 (0.52) | TP53ALDH1A1MAPK1KMT2ASMN1; SMN2 | |
| SCHEMBL9520947 | 0.76 | ALDH1A1 (0.46) | CES2CES1AKR1B1NOS2HIF1A | |
| Urea SCHEMBL6171504 | 0.76 | CES1 (0.52) | CES2CES1AKR1B1HIF1AALDH1A1 | |
| SCHEMBL595614 | 0.75 | CES1 (0.50) | CES2CES1AKR1B1TP53ALDH1A1 | |
| SCHEMBL3559545 | 0.75 | CES1 (0.50) | CES2CES1AKR1B1TP53ALDH1A1 | |
| SCHEMBL6318661 | 0.75 | NOS2 (0.52) | CES2CES1AKR1B1TP53NOS2 | |
| SCHEMBL5184996 | 0.74 | CES1 (0.55) | CES2CES1AKR1B1NOS2HIF1A | |
| SCHEMBL8993215 | 0.74 | CES1 (0.55) | CES2CES1AKR1B1NOS2HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0813542-A1 | AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1997-12-29 | — | — | EP | disclosed |