Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 9/20 | 0.45 |
| ▸ | CES2 | O00748 | 3/20 | 0.45 |
| ▸ | CES1 | P23141 | 3/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| SCHEMBL6200321 | 0.81 | CES2 (0.54) | CES2CES1ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL29779621 | 0.76 | NR4A1 (0.65) | CES2CES1MGLLALDH1A1ALOX15 | |
| SCHEMBL1129231 | 0.76 | NR4A1 (0.65) | CES2CES1MGLLALDH1A1ALOX15 | |
| SCHEMBL9421742 | 0.75 | NR4A1 (0.62) | CES2CES1MGLLALDH1A1ALOX15 | |
| SCHEMBL27608931 | 0.73 | KMT2A (0.47) | CES2CES1MGLLALDH1A1ALOX15 | |
| SCHEMBL6203257 | 0.72 | RAB9A (0.52) | ALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL9861760 | 0.70 | ALDH1A1 (0.59) | CES2CES1ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL20659167 | 0.69 | MGLL (0.44) | CES2CES1MGLLALDH1A1ALOX15 | |
| SCHEMBL9450434 | 0.69 | TDP1 (0.56) | MDM2CES2CES1ALDH1A1ALOX15 | |
| SCHEMBL11184715 | 0.69 | KMT2A (0.61) | CES2CES1ALDH1A1ALOX15SMN1; SMN2 |
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 |