Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 5/20 | 0.50 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6200676 | 0.83 | ALDH1A1 (0.45) | MEN1RAB9AKMT2ASMN1; SMN2CES2 | |
| SCHEMBL7490455 | 0.81 | FFAR2 (0.49) | FFAR2MEN1KMT2AROCK2ALDH1A1 | |
| SCHEMBL15974646 | 0.80 | MDM2 (0.49) | MDM2TRPA1CES2CES1HDAC4 | |
| SCHEMBL23716167 | 0.79 | FFAR2 (0.47) | FFAR2ROCK2ALDH1A1BRD4HDAC4 | |
| SCHEMBL21271211 | 0.77 | HTR1B (0.49) | FFAR2TRPA1MEN1RAB9AKMT2A | |
| SCHEMBL6203699 | 0.77 | TDP1 (0.55) | MEN1KMT2ASMN1; SMN2CES2CES1 | |
| SCHEMBL15028487 | 0.76 | KLRK1 (0.47) | FFAR2ROCK2ALDH1A1BRD4HDAC4 | |
| Hydrochloric Acid SCHEMBL10526098 | 0.75 | MDM2 (0.48) | MDM2MEN1KMT2AALDH1A1 | |
| SCHEMBL15974097 | 0.75 | S1PR3 (0.48) | MDM2TRPA1ALDH1A1TSHR | |
| SCHEMBL15974098 | 0.75 | S1PR3 (0.48) | MDM2TRPA1ALDH1A1TSHR |
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 | claimed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | claimed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | claimed |