Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 5/20 | 0.58 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | TACR3 | P29371 | 9/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TTK | P33981 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157515 | 0.81 | PDK2 (0.64) | P2RX7NR1H2PDK2TACR3 | |
| SCHEMBL112363 | 0.81 | TACR3 (0.67) | P2RX7TACR3CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL19005706 | 0.81 | RET (0.46) | NR1H2PARP1PDK2RETTTK | |
| SCHEMBL30233019 | 0.79 | TACR3 (0.50) | P2RX7NR1H2PDK2TACR3CYP1A2 | |
| SCHEMBL16027918 | 0.79 | P2RX7 (0.59) | P2RX7TACR3ALDH1A1 | |
| SCHEMBL14850844 | 0.79 | TACR3 (0.56) | P2RX7PARP1TACR3CYP1A2CYP2C19 | |
| SCHEMBL26113816 | 0.78 | P2RX7 (0.56) | P2RX7TACR3 | |
| SCHEMBL30552179 | 0.78 | P2RX7 (0.56) | P2RX7TACR3 | |
| SCHEMBL10095021 | 0.78 | NR1H2 (0.47) | P2RX7NR1H2PDK2ALDH1A1LMNA | |
| SCHEMBL30980030 | 0.76 | P2RX7 (0.56) | P2RX7NR1H2PARP1PDK2TACR3 |
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-2017101796-A1 | PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2017-06-22 | — | — | WO | disclosed |