Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.62 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ASPH | Q12797 | 1/20 | 0.51 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4829706 | 0.82 | ATM (0.64) | ATMHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL13115775 | 0.78 | ATM (0.72) | ATMHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL18903800 | 0.77 | ATM (0.71) | ATMHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL31275112 | 0.72 | KDM4C (0.57) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL34462764 | 0.72 | CYP1A2 (0.56) | HDAC3HDAC1HDAC2HDAC6NPC1 | |
| SCHEMBL8022247 | 0.71 | GABRA5 (0.52) | ATMHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL27418247 | 0.70 | HCAR3 (0.55) | NPC1GAAPKMRAB9APOLB | |
| SCHEMBL34462821 | 0.70 | CYP1A2 (0.77) | ATMKDM4EHIF1ACYP1A2CYP3A4 | |
| SCHEMBL3957261 | 0.70 | ATM (0.60) | ATMKDM4EHIF1ACYP1A2CYP3A4 | |
| SCHEMBL11249463 | 0.69 | HCAR3 (0.63) | RAB9ATSHRTP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0835246-B1 | AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ASTRAZENECA AB (SE) | 2001-10-24 | — | — | EP | claimed |