Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 5/20 | 0.43 |
| ▸ | ESRRG | P62508 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| SCHEMBL21590176 | 0.80 | MLYCD (0.45) | MLYCDESRRGHDAC6HDAC1ALDH1A1 | |
| SCHEMBL29845697 | 0.80 | MEN1 (0.49) | MLYCDHDAC6HDAC1MEN1KMT2A | |
| SCHEMBL22858842 | 0.79 | MLYCD (0.44) | MLYCDESRRGHDAC6HDAC1 | |
| SCHEMBL12959822 | 0.75 | ALDH1A1 (0.55) | MEN1KMT2ANR1H4EPHX2ALDH1A1 | |
| SCHEMBL12377306 | 0.75 | ESRRG (0.45) | MLYCDESRRGHDAC6HDAC1MEN1 | |
| SCHEMBL22858732 | 0.71 | FFAR1 (0.43) | MLYCD | |
| SCHEMBL14215503 | 0.70 | HPGD (0.58) | MLYCDMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL18650128 | 0.69 | MMP13 (0.46) | ESRRGMEN1KMT2AATMALDH1A1 | |
| SCHEMBL18652133 | 0.69 | ESRRG (0.55) | ESRRGHPGD | |
| SCHEMBL18650131 | 0.67 | KMT2A (0.50) | MLYCDHDAC6HDAC1MEN1KMT2A |
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-2021000925-A1 | PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2021-01-07 | — | — | WO | disclosed |