Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3457168 | 0.98 | DAO (0.41) | DAOMAOBKDM1AHRH3DRD3 | |
| SCHEMBL6657810 | 0.85 | DAO (0.52) | DAOMAOBKDM1AHRH3DRD3 | |
| SCHEMBL23349399 | 0.80 | MAOB (0.56) | DAOMAOBKDM1AHRH3SLC2A1 | |
| SCHEMBL6656793 | 0.80 | MAOB (0.56) | DAOMAOBKDM1AHRH3SLC2A1 | |
| SCHEMBL6658550 | 0.80 | MAOB (0.56) | DAOMAOBKDM1AHRH3SLC2A1 | |
| SCHEMBL11374579 | 0.80 | KDM4E (0.36) | DAOMAOBSIGMAR1ALDH1A1PKM | |
| SCHEMBL11570567 | 0.79 | — | — | |
| SCHEMBL7511785 | 0.79 | ALOX15 (0.44) | HRH3SIGMAR1ALDH1A1PKMKDM4E | |
| Hydrochloric Acid SCHEMBL1920270 | 0.79 | KDM4E (0.33) | KCNH2KDM4E | |
| SCHEMBL13860742 | 0.78 | HTR7 (0.48) | DAOMAOBKDM1AHRH3DRD3 |
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-114423750-B | 2, 4-Disubstituted pyrimidine derivative, preparation method and application thereof | 成都赜灵生物医药科技有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-114423750-A | 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof | 成都赜灵生物医药科技有限公司 | 2022-04-29 | — | — | CN | disclosed |