Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 4/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 5/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.38 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.38 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL13328621 | 0.81 | PDE2A (0.50) | PDE2ACES2CES1ALDH1A1ACP3 | |
| SCHEMBL12086293 | 0.81 | PDE2A (0.50) | PDE2ACES2CES1ALDH1A1ACP3 | |
| SCHEMBL25502574 | 0.81 | PDE2A (0.50) | PDE2ACES2CES1ALDH1A1ACP3 | |
| SCHEMBL84043 | 0.80 | PDE2A (0.53) | PDE2ACES2CES1ALDH1A1ACP3 | |
| SCHEMBL16230724 | 0.79 | PDE2A (0.48) | PDE2ACES2CES1ALDH1A1ACP3 | |
| SCHEMBL19772091 | 0.79 | PDE2A (0.48) | PDE2ACES2CES1ALDH1A1ACP3 | |
| SCHEMBL19772099 | 0.79 | PDE2A (0.48) | PDE2ACES2CES1ALDH1A1ACP3 | |
| SCHEMBL27480614 | 0.79 | PDE2A (0.44) | PDE2ACES2CES1ALDH1A1ACP3 | |
| SCHEMBL18698639 | 0.79 | NR1H2 (0.53) | HDAC1HDAC8HDAC6 | |
| SCHEMBL7438101 | 0.78 | PDE2A (0.52) | PDE2ACES2CES1ALDH1A1ACP3 |
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-2023165263-A1 | PYRROLOTRIAZINONE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海科技大学 | 2023-09-07 | — | — | WO | disclosed |