Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | CNR2 | P34972 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.46 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL30956107 | 0.82 | RAB9A (0.58) | RAB9ACNR2KMT2AMEN1TP53 | |
| SCHEMBL13306750 | 0.82 | RAB9A (0.58) | RAB9ACNR2KMT2AMEN1TP53 | |
| SCHEMBL2230478 | 0.80 | RAB9A (0.60) | RAB9ACNR2KMT2AMEN1TP53 | |
| SCHEMBL5655604 | 0.79 | RAB9A (0.62) | RAB9ACNR2KMT2AMEN1TP53 | |
| SCHEMBL25474761 | 0.79 | RAB9A (0.58) | RAB9ACNR2KMT2AMEN1TP53 | |
| SCHEMBL24898028 | 0.78 | RAB9A (0.55) | RAB9ACNR2KMT2AMEN1TP53 | |
| SCHEMBL24898159 | 0.78 | RAB9A (0.66) | RAB9ACNR2KMT2AMEN1TP53 | |
| SCHEMBL28585340 | 0.78 | RAB9A (0.55) | RAB9ACNR2KMT2AMEN1TP53 | |
| SCHEMBL349832 | 0.76 | CNR2 (0.56) | RAB9ACNR2KMT2AMEN1TP53 | |
| SCHEMBL5500063 | 0.76 | MAPT (0.66) | RAB9ACNR2KMT2AMEN1TP53 |
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-2021222556-A1 | PI3K-α INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2021-11-04 | — | — | WO | disclosed |