Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12266516 | 0.69 | CYP2A6 (0.56) | MAOAKDM4EMEN1GABRPGABRD | |
| SCHEMBL24122129 | 0.68 | CHEK1 (0.51) | ADORA2AADORA2BKDM4EMEN1ALDH1A1 | |
| SCHEMBL23508976 | 0.68 | MAOA (0.47) | ADORA2AADORA2BMAOAKDM4EMEN1 | |
| SCHEMBL24122166 | 0.68 | CCR1 (0.46) | CCR1CCR5CCR8YTHDC1YTHDF2 | |
| SCHEMBL18266940 | 0.67 | CCR1 (0.70) | MAOAKDM4EMEN1GABRPGABRD | |
| SCHEMBL19153242 | 0.67 | PDE3B (0.40) | MAOAKDM4EMEN1GABRPGABRD | |
| SCHEMBL24122136 | 0.67 | ADORA2A (0.42) | ADORA2AADORA2BPIM1YTHDC1YTHDF2 | |
| SCHEMBL17195501 | 0.65 | MAOA (0.44) | MAOAKDM4EMEN1GABRPGABRD | |
| SCHEMBL24122086 | 0.65 | CYP2A6 (0.43) | MAOAKDM4EMEN1GABRPGABRD | |
| SCHEMBL16421707 | 0.65 | YTHDC1 (0.60) | ADORA2AADORA2BYTHDC1YTHDF2CHEK1 |
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-2021254493-A1 | CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2021-12-23 | — | — | WO | disclosed |