Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.47 |
| ▸ | BAD | Q92934 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | RRM1 | P23921 | 1/20 | 0.37 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20510102 | 1.00 | BCL2L1 (0.47) | BCL2L1BADCYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL29043116 | 0.98 | BCL2L1 (0.46) | BCL2L1BADCYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL29043115 | 0.98 | BCL2L1 (0.46) | BCL2L1BADCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL26628793 | 0.96 | BCL2L1 (0.42) | BCL2L1BADCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL26628790 | 0.96 | BCL2L1 (0.42) | BCL2L1BADCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24469527 | 0.96 | BCL2L1 (0.42) | BCL2L1BADCYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL29042931 | 0.94 | ALDH1A1 (0.43) | BCL2L1BADCYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL29666979 | 0.94 | ALDH1A1 (0.43) | BCL2L1BADCYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL29042933 | 0.94 | ALDH1A1 (0.43) | BCL2L1BADCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31011949 | 0.86 | BCL2L1 (0.48) | BCL2L1BADCYP1A2CYP3A4ALDH1A1 |
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-2022111498-A1 | PYRIMIDINEDIONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2022-06-02 | — | — | WO | disclosed |