Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 9/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | P4HB | P07237 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | GPR183 | P32249 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1950607 | 0.78 | TDO2 (0.51) | CYP1A1CYP1B1MAOBNFKB1APP | |
| SCHEMBL1950609 | 0.78 | TDO2 (0.51) | CYP1A1CYP1B1MAOBNFKB1APP | |
| SCHEMBL13729042 | 0.77 | CTSL (0.50) | APPKCNH2MEN1MAPTKMT2A | |
| SCHEMBL13729045 | 0.77 | CTSL (0.50) | APPKCNH2MEN1MAPTKMT2A | |
| SCHEMBL3214998 | 0.77 | CYP1A1 (0.47) | CYP1A1CYP1B1MAOBNFKB1APP | |
| SCHEMBL5558135 | 0.77 | CYP1A1 (0.47) | CYP1A1CYP1B1MAOBNFKB1APP | |
| SCHEMBL3215005 | 0.77 | CYP1A1 (0.47) | CYP1A1CYP1B1MAOBNFKB1APP | |
| SCHEMBL5558138 | 0.77 | CYP1A1 (0.47) | CYP1A1CYP1B1MAOBNFKB1APP | |
| SCHEMBL13730038 | 0.73 | HSD11B1 (0.56) | CYP1A1CYP1B1MAOBMAOAMEN1 | |
| SCHEMBL13730037 | 0.73 | HSD11B1 (0.56) | CYP1A1CYP1B1MAOBMAOAMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023288242-A1 | PI3Kα INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-01-19 | — | — | WO | disclosed |
| WO-2023288242-A1 | PI3Kα INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-01-19 | — | — | WO | disclosed |