Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TNKS | O95271 | 2/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28798565 | 0.76 | HSP90AA1 (0.41) | LMNANPC1MAPTRAB9ANQO2 | |
| SCHEMBL1623275 | 0.71 | TNKS (0.50) | PARP1NPC1MAPTRAB9ATNKS | |
| SCHEMBL20511734 | 0.71 | KDM4E (0.59) | PARP1KDM4ELMNAHSD17B10NPC1 | |
| SCHEMBL9817824 | 0.71 | KDM4E (0.59) | PARP1KDM4ELMNAHSD17B10NPC1 | |
| SCHEMBL6128121 | 0.71 | KDM4E (0.62) | PARP1KDM4ELMNAHSD17B10NPC1 | |
| SCHEMBL22866706 | 0.69 | KDM4E (0.56) | PARP1KDM4ELMNAHSD17B10NPC1 | |
| SCHEMBL1387202 | 0.69 | TNKS2 (0.66) | PARP1KDM4ETNKSTNKS2 | |
| SCHEMBL28798777 | 0.67 | KDM4E (0.53) | PARP1KDM4ELMNAHSD17B10NPC1 | |
| SCHEMBL23520600 | 0.66 | KDM4E (0.56) | PARP1KDM4ELMNAHSD17B10NPC1 | |
| SCHEMBL23555542 | 0.66 | KDM4E (0.56) | PARP1KDM4ELMNAHSD17B10NPC1 |
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-114539245-A | Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-05-27 | — | — | CN | disclosed |