Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | PDE1A | P54750 | 2/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25398148 | 0.85 | CYP3A4 (0.44) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL25394269 | 0.84 | CYP3A4 (0.43) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19785248 | 0.83 | CYP3A4 (0.50) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL21383708 | 0.82 | CYP3A4 (0.49) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL31057983 | 0.82 | CYP3A4 (0.49) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL21154729 | 0.82 | CYP3A4 (0.46) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19785519 | 0.82 | CYP3A4 (0.48) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL29679787 | 0.82 | CYP3A4 (0.48) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19785269 | 0.82 | CYP3A4 (0.48) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL21856067 | 0.81 | CYP3A4 (0.47) | CYP3A4TSHRTDP1ATMALDH1A1 |
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-2021043077-A1 | SUBSTITUTED PYRAZINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2021-03-11 | — | — | WO | disclosed |