Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28410516 | 0.80 | GAA (0.42) | ALDH1A1GAATSHRRAB9ASMN1; SMN2 | |
| SCHEMBL31252137 | 0.78 | ATM (0.43) | ALDH1A1GAATSHRDRD2HTT | |
| SCHEMBL16351364 | 0.78 | ALDH1A1 (0.43) | ALDH1A1GAARAB9ACYP3A4HTT | |
| SCHEMBL10437828 | 0.77 | USP2 (0.43) | ALDH1A1GAATSHRHTTL3MBTL1 | |
| SCHEMBL28606626 | 0.76 | KDM4E (0.36) | ALDH1A1GAATSHRCYP3A4HTT | |
| SCHEMBL14646990 | 0.75 | KDM1A (0.53) | ALDH1A1GAAKDM1AMAOBDRD2 | |
| SCHEMBL14840917 | 0.75 | DRD2 (0.41) | DRD2 | |
| SCHEMBL14840918 | 0.75 | DRD2 (0.41) | DRD2 | |
| SCHEMBL13453032 | 0.75 | KDM1A (0.45) | KDM1AMAOBDRD2CYP3A4HTT | |
| SCHEMBL2144384 | 0.75 | KDM1A (0.45) | KDM1AMAOBDRD2CYP3A4HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114591319-B | Tetrahydropyridopyrimidine derivative and application thereof | 江苏先声药业有限公司 | 2024-06-28 | — | — | CN | disclosed |
| CN-114591319-A | Tetrahydropyridopyrimidine derivative and application thereof | 江苏先声药业有限公司 | 2022-06-07 | — | — | CN | disclosed |