Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.63 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.59 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CASR | P41180 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9724971 | 0.78 | KCNQ2 (0.54) | ALDH1A1GPR55KCNQ2IDO1NPC1 | |
| SCHEMBL28279152 | 0.78 | ROCK2 (0.57) | ALDH1A1GPR55KCNQ2IDO1CASR | |
| SCHEMBL11713368 | 0.77 | MDM2 (1.00) | ALDH1A1MDM2KMT2ALMNACYP1A2 | |
| SCHEMBL7282286 | 0.76 | MME (0.57) | ALDH1A1KMT2AHPGDMEN1MAPT | |
| SCHEMBL3355858 | 0.75 | MDM2 (0.88) | ALDH1A1MDM2KMT2ACYP1A2CYP2C19 | |
| SCHEMBL7037701 | 0.75 | MDM2 (0.88) | ALDH1A1MDM2KMT2ACYP1A2CYP2C19 | |
| SCHEMBL11580663 | 0.73 | NPC1 (0.67) | KCNQ2NPC1RAB9AKMT2ACASR | |
| SCHEMBL6376178 | 0.73 | FPR2 (0.67) | ALDH1A1KMT2AMEN1TAS1R3TAS1R1 | |
| SCHEMBL6374921 | 0.73 | FPR2 (0.67) | ALDH1A1KMT2AMEN1TAS1R3TAS1R1 | |
| SCHEMBL6374913 | 0.73 | FPR2 (0.67) | ALDH1A1KMT2AMEN1TAS1R3TAS1R1 |
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 |