Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.53 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL1487886 | 0.90 | CES1 (0.65) | CES1CES2LMNAKMT2ATDP1 | |
| Water SCHEMBL8542684 | 0.88 | CES1 (0.62) | CES1CES2LMNAKMT2ATDP1 | |
| SCHEMBL11525745 | 0.81 | SRD5A2 (0.52) | CES1MEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL11273437 | 0.77 | CES1 (0.52) | CES1CES2POLBLMNANPC1 | |
| SCHEMBL4554194 | 0.77 | MAPT (0.59) | CES1LMNAKMT2AALDH1A1KCNN4 | |
| SCHEMBL1999101 | 0.77 | CES1 (0.56) | CES1CES2LMNAKMT2ATDP1 | |
| SCHEMBL30610236 | 0.77 | CES1 (0.55) | CES1CES2POLBLMNANPC1 | |
| SCHEMBL22722985 | 0.76 | KCNN4 (0.50) | CES1MEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL2517938 | 0.76 | KCNN4 (0.50) | CES1MEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL5046100 | 0.76 | KCNN4 (0.50) | CES1MEN1KMT2ATDP1ALDH1A1 |
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 |