Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.54 |
| ▸ | CES1 | P23141 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27608931 | 0.90 | KMT2A (0.47) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL10964872 | 0.84 | CES2 (0.52) | CES2CES1TSHRALOX15CA1 | |
| Hydrochloric Acid SCHEMBL27977562 | 0.82 | CES2 (0.50) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL187689 | 0.82 | CES2 (0.50) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL6205327 | 0.81 | MDM2 (0.45) | CES2CES1ALOX15ALDH1A1RAB9A | |
| Hydrochloric Acid SCHEMBL10809276 | 0.80 | CES2 (0.48) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL27608836 | 0.80 | CES2 (0.48) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL20263132 | 0.80 | SMN1; SMN2 (0.50) | CES2CES1TSHRCA1CA2 | |
| SCHEMBL655925 | 0.79 | LMNA (0.48) | CES2CES1TSHRALOX15CA1 | |
| Hydrochloric Acid SCHEMBL9150527 | 0.79 | CES2 (0.46) | CES2CES1TSHRALOX15CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |