Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL20775252 | 0.89 | NR1H2 (0.45) | NR1H2HTTATMUSP2SMN1; SMN2 | |
| SCHEMBL110537 | 0.88 | NR1H2 (0.44) | NR1H2HTTATMUSP2SMN1; SMN2 | |
| SCHEMBL110633 | 0.85 | NR1H2 (0.43) | NR1H2HTTATMUSP2SMN1; SMN2 | |
| SCHEMBL573207 | 0.83 | DPP4 (0.50) | NR1H2ATMSMN1; SMN2CYP8B1ALDH1A1 | |
| SCHEMBL10095021 | 0.83 | NR1H2 (0.47) | NR1H2HTTATMUSP2SMN1; SMN2 | |
| SCHEMBL1497486 | 0.82 | P2RX7 (0.49) | NR1H2HTTATMUSP2SMN1; SMN2 | |
| SCHEMBL22952373 | 0.82 | P2RX7 (0.48) | NR1H2HTTATMUSP2SMN1; SMN2 | |
| SCHEMBL15580338 | 0.82 | NR1H2 (0.46) | NR1H2HTTATMUSP2SMN1; SMN2 | |
| SCHEMBL5275353 | 0.81 | NR1H2 (0.51) | NR1H2HTTATMUSP2SMN1; SMN2 | |
| SCHEMBL573286 | 0.81 | NR1H2 (0.45) | NR1H2HTTATMUSP2SMN1; SMN2 |
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 |