Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| SCHEMBL29077481 | 0.78 | EPHX2 (0.40) | NPC1MAPTPOLBALDH1A1LMNA | |
| SCHEMBL29172800 | 0.77 | SMYD3 (0.42) | NPC1ALDH1A1LMNAKDM4EHTT | |
| SCHEMBL19863561 | 0.77 | CCND1 (0.38) | NPC1MAPTALDH1A1LMNACCND1 | |
| SCHEMBL29260039 | 0.74 | BCHE (0.42) | BCHESMN1; SMN2 | |
| SCHEMBL19857411 | 0.74 | ALDH1A1 (0.37) | NPC1MAPTALDH1A1LMNACCND1 | |
| SCHEMBL29077624 | 0.73 | ATM (0.39) | MAPTPOLBALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL19857361 | 0.72 | TSHR (0.47) | NPC1MAPTALDH1A1CCND1CCNE1 | |
| SCHEMBL28670500 | 0.72 | BCHE (0.60) | BCHESMN1; SMN2 | |
| SCHEMBL29191942 | 0.72 | EPHX2 (0.41) | POLBEPHX2SMN1; SMN2 | |
| SCHEMBL28759274 | 0.72 | TP53 (0.51) | MAPTALDH1A1LMNAKDM4EHTT |
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-114394966-A | Pyridopyrimidinone CDK2/4/6 inhibitors | 辉瑞公司 | 2022-04-26 | — | — | CN | disclosed |