Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL73934 | 0.87 | — | — | |
| Benzene SCHEMBL28086885 | 0.84 | AURKA (0.46) | MCL1AURKAAURKBINCENPDAO | |
| SCHEMBL27969159 | 0.84 | — | — | |
| SCHEMBL19838559 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL29014480 | 0.84 | — | — | |
| Fluoride SCHEMBL28006656 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL29144528 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL5652646 | 0.84 | — | — | |
| SCHEMBL15577261 | 0.82 | — | — | |
| Cyclohexane SCHEMBL9980447 | 0.79 | AURKA (0.42) | AURKAAURKBINCENPDAOHDAC8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104761557-B | Hexahydro-1H-pyrrolo[3,4-d]pyrimidine compound and preparation method thereof | 河南师范大学 | 2017-02-22 | — | — | CN | disclosed |
| CN-104761557-A | Hexahydro-1H-pyrrolo[3,4-d]pyrimidine compound and preparation method thereof | UNIV HENAN NORMAL | 2015-07-08 | — | — | CN | disclosed |