Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 6/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.45 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7275104 | 1.00 | HCRTR1 (0.47) | HCRTR1HCRTR2TP53MDM2EHMT2 | |
| SCHEMBL7275111 | 1.00 | HCRTR1 (0.47) | HCRTR1HCRTR2TP53MDM2EHMT2 | |
| SCHEMBL22443601 | 0.91 | HCRTR1 (0.52) | HCRTR1HCRTR2EHMT2P2RX7CYP3A4 | |
| SCHEMBL22443602 | 0.91 | HCRTR1 (0.52) | HCRTR1HCRTR2EHMT2P2RX7CYP3A4 | |
| SCHEMBL20193827 | 0.88 | HCRTR1 (0.46) | HCRTR1HCRTR2TP53MDM2EHMT2 | |
| SCHEMBL6703838 | 0.85 | TP53 (0.46) | HCRTR1HCRTR2TP53MDM2EHMT2 | |
| SCHEMBL16057864 | 0.85 | ENPP2 (0.43) | HCRTR1HCRTR2P2RX7TSHR | |
| SCHEMBL27278853 | 0.85 | EHMT2 (0.49) | EHMT2CYP3A4TSHRCYP2C19 | |
| SCHEMBL11065983 | 0.85 | EHMT2 (0.49) | EHMT2CYP3A4TSHRCYP2C19 | |
| SCHEMBL31706028 | 0.84 | ITGB1 (0.47) | HCRTR1HCRTR2TP53MDM2EHMT2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114057740-B | Spiropyrimidinone derivatives, method for the production thereof, pharmaceutical compositions and use thereof | 上海赛默罗生物科技有限公司 | 2024-04-02 | — | — | CN | disclosed |