Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP3 | P15309 | 1/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL27691016 | 0.85 | ACP3 (0.47) | ACP3P2RX7CNR2AKR1C3AKR1C2 | |
| SCHEMBL194437 | 0.84 | AKR1C3 (0.52) | ACP3P2RX7CNR2AKR1C3AKR1C2 | |
| SCHEMBL30428161 | 0.84 | AKR1C3 (0.52) | ACP3P2RX7CNR2AKR1C3AKR1C2 | |
| SCHEMBL4778256 | 0.82 | ACP3 (0.45) | ACP3P2RX7CNR2AKR1C3AKR1C2 | |
| Hydrochloric Acid SCHEMBL6559016 | 0.81 | ACP3 (0.44) | ACP3P2RX7CNR2AKR1C3AKR1C2 | |
| SCHEMBL28327500 | 0.80 | ACP3 (0.46) | ACP3P2RX7CNR2LMNAGAA | |
| SCHEMBL17189665 | 0.78 | CNR2 (0.44) | ACP3P2RX7CNR2CNR1SMN1; SMN2 | |
| SCHEMBL527655 | 0.78 | ACP3 (0.42) | ACP3P2RX7CNR2CNR1SMN1; SMN2 | |
| SCHEMBL527669 | 0.78 | ACP3 (0.42) | ACP3P2RX7CNR2CNR1SMN1; SMN2 | |
| SCHEMBL29268488 | 0.77 | EPHX2 (0.46) | ACP3CNR2SMN1; SMN2ALDH1A1LMNA |
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-109422749-B | Pyrimidinedione derivative for inhibiting monocarboxylic acid transporter | 重庆医药工业研究院有限责任公司 | 2023-01-24 | — | — | CN | disclosed |