Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | GABRP | O00591 | 1/20 | 0.48 |
| ▸ | GABRD | O14764 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.48 |
| ▸ | GABRE | P78334 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.48 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.48 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL30877920 | 1.00 | CES2 (0.55) | CES2CES1HPGDTSHRGABRP | |
| Benzene SCHEMBL9226365 | 1.00 | CES2 (0.55) | CES2CES1HPGDTSHRGABRP | |
| Benzene SCHEMBL9232305 | 0.97 | TSHR (0.50) | CES2CES1HPGDTSHRGABRP | |
| SCHEMBL6501 | 0.94 | — | — | |
| SCHEMBL1260777 | 0.94 | CES2 (0.61) | CES2CES1HPGDTSHRGABRP | |
| SCHEMBL25212375 | 0.94 | CES2 (0.61) | CES2CES1HPGDTSHRGABRP | |
| SCHEMBL242069 | 0.94 | CES2 (0.61) | CES2CES1HPGDTSHRGABRP | |
| SCHEMBL12491655 | 0.94 | CES2 (0.61) | CES2CES1HPGDTSHRGABRP | |
| SCHEMBL5493736 | 0.94 | CES2 (0.61) | CES2CES1HPGDTSHRGABRP | |
| SCHEMBL12492077 | 0.94 | CES2 (0.61) | CES2CES1HPGDTSHRGABRP |
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-2024088189-A1 | MACROCYCLIC COMPOUND AS CDK9 INHIBITOR AND USE THEREOF | 科辉智药生物科技（无锡）有限公司 | 2024-05-02 | — | — | WO | disclosed |