Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.72 |
| ▸ | PLA2G2A | P14555 | 5/20 | 0.57 |
| ▸ | MEN1 | O00255 | 6/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.53 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.53 |
| ▸ | DHODH | Q02127 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30365659 | 0.84 | KDM4E (1.00) | KDM4EMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL1900613 | 0.84 | KDM4E (1.00) | KDM4EMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL1228082 | 0.81 | KDM4E (0.58) | KDM4EPLA2G2AMEN1KMT2AALDH1A1 | |
| SCHEMBL14518623 | 0.80 | MEN1 (0.72) | KDM4EPLA2G2AMEN1KMT2AALDH1A1 | |
| SCHEMBL30604170 | 0.80 | PLA2G2A (0.61) | KDM4EPLA2G2AMEN1KMT2AALDH1A1 | |
| SCHEMBL30604167 | 0.80 | PLA2G2A (0.61) | KDM4EPLA2G2AMEN1KMT2AALDH1A1 | |
| SCHEMBL72379 | 0.79 | KDM4E (0.70) | KDM4EPLA2G2AMEN1KMT2AALDH1A1 | |
| SCHEMBL12903095 | 0.79 | KDM4E (0.70) | KDM4EMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL31295407 | 0.79 | KDM4E (0.70) | KDM4EMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL663977 | 0.79 | KDM4E (0.70) | KDM4EPLA2G2AMEN1KMT2AALDH1A1 |
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-117751107-A | Organic pyridine-pyrazole compounds and uses thereof | 博善人工智能剑桥有限公司 | 2024-03-22 | — | — | CN | disclosed |