Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.62 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | DRD2 | P14416 | 2/20 | 0.58 |
| ▸ | DRD3 | P35462 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 3/20 | 0.53 |
| ▸ | HTR3A | P46098 | 2/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.50 |
| ▸ | NCF1 | P14598 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL173027 | 1.00 | ADRB1 (0.62) | ADRB1ADRA2CALDH1A1HPGDSMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL28721086 | 0.98 | ADRB1 (0.60) | ADRB1ADRA2CALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL15061993 | 0.92 | NCF1 (0.61) | ADRB1ADRA2CALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL4291189 | 0.91 | ADRB1 (0.72) | ADRB1ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL7583950 | 0.89 | ADRB1 (0.51) | ADRB1ADRA2CALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL13243993 | 0.83 | ADRB1 (0.65) | ADRB1ADRA2CALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL286304 | 0.82 | SLC18A3 (0.56) | ADRB1ADRA2CALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL10118836 | 0.82 | ADRB1 (0.61) | ADRB1ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL329301 | 0.82 | ADRB1 (0.67) | ADRB1ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL27961590 | 0.82 | ADRB1 (0.67) | ADRB1ALDH1A1HPGDSMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023217201-A2 | NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF | 杭州德睿智药科技有限公司 | 2023-11-16 | — | — | WO | disclosed |