Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28798580 | 0.82 | KDM4E (0.46) | PARP1KDM4ELMNAHSD17B10CNR1 | |
| SCHEMBL29656586 | 0.77 | KDM4E (0.38) | PARP1KDM4ELMNAHSD17B10CNR1 | |
| SCHEMBL25871002 | 0.75 | CYP1A2 (0.49) | PARP1KDM4ELMNAHSD17B10CNR1 | |
| SCHEMBL24659018 | 0.74 | MBOAT4 (0.34) | PARP1KDM4ELMNAHSD17B10CNR1 | |
| SCHEMBL29656754 | 0.74 | MBOAT4 (0.34) | PARP1KDM4ELMNAHSD17B10CNR1 | |
| SCHEMBL24658989 | 0.73 | CNR1 (0.45) | PARP1KDM4ELMNAHSD17B10CNR1 | |
| SCHEMBL24659425 | 0.70 | PARP1 (0.39) | PARP1KDM4ELMNAHSD17B10CNR1 | |
| SCHEMBL27186842 | 0.70 | CCNE1 (0.42) | PARP1KDM4ELMNAHSD17B10CNR1 | |
| SCHEMBL1982946 | 0.67 | PKM (0.34) | PIK3CA | |
| SCHEMBL20321523 | 0.66 | CYP1A2 (0.70) | PARP1KDM4ELMNAHSD17B10CNR1 |
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 |