Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4778964 | 0.78 | ALDH1A1 (0.43) | PARP1HPGD | |
| SCHEMBL6989407 | 0.77 | CES2 (0.45) | EPHX1CES2CES1PARP1HDAC1 | |
| SCHEMBL20827294 | 0.76 | FFAR1 (0.41) | CES2CES1HDAC1HDAC6TSHR | |
| SCHEMBL28248610 | 0.73 | EPHX1 (0.42) | EPHX1CES2CES1PARP1HDAC1 | |
| SCHEMBL16404706 | 0.69 | — | — | |
| SCHEMBL10940299 | 0.69 | — | — | |
| SCHEMBL577210 | 0.68 | ACHE (0.46) | EPHX1CES2CES1PARP1RAB9A | |
| SCHEMBL482240 | 0.68 | HAO1 (0.55) | EPHX1CES2CES1PARP1RAB9A | |
| SCHEMBL8531521 | 0.68 | SLC6A9 (0.42) | EPHX1CES2CES1PARP1HAO1 | |
| SCHEMBL4278929 | 0.67 | APEX1 (0.64) | EPHX1CES2CES1TSHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023288242-A1 | PI3Kα INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-01-19 | — | — | WO | disclosed |