Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.43 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2144643 | 0.86 | KDM4E (0.45) | GRIN2BKDM4EHDAC3HDAC4HDAC1 | |
| SCHEMBL1530558 | 0.86 | HDAC3 (0.46) | GRIN2BKDM4EHDAC3HDAC4HDAC1 | |
| SCHEMBL14991601 | 0.83 | LMNA (0.49) | ADAM17LMNA | |
| SCHEMBL2144806 | 0.82 | KMT2A (0.46) | KDM4EHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL7271173 | 0.81 | TACR1 (0.44) | TACR1KDM4EP2RX7HDAC3HDAC4 | |
| SCHEMBL1530198 | 0.79 | WIZ (0.41) | GRIN2BKDM4EHDAC3HDAC4HDAC1 | |
| SCHEMBL30874421 | 0.79 | EGLN1 (0.50) | KDM4EHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL30059679 | 0.79 | HDAC3 (0.44) | TACR1KDM4EHDAC3HDAC4HDAC1 | |
| SCHEMBL22226371 | 0.79 | EGLN1 (0.50) | KDM4EHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL27721893 | 0.78 | HDAC3 (0.48) | TACR1KDM4EHDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116261562-A | PI 3K-alpha inhibitors and methods of use thereof | 传达治疗有限公司 | 2023-06-13 | — | — | CN | disclosed |