Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.64 |
| ▸ | CTSL | P07711 | 1/20 | 0.56 |
| ▸ | CTSS | P25774 | 1/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28224944 | 1.00 | ATM (0.64) | ATMCTSLCTSSOPRK1CYP3A4 | |
| SCHEMBL434233 | 0.90 | ATM (0.77) | ATMCTSLCTSSOPRK1CYP3A4 | |
| SCHEMBL1362502 | 0.90 | ATM (0.77) | ATMCTSLCTSSOPRK1CYP3A4 | |
| SCHEMBL7719287 | 0.90 | ATM (0.77) | ATMCTSLCTSSOPRK1CYP3A4 | |
| SCHEMBL3255533 | 0.90 | ATM (0.77) | ATMCTSLCTSSOPRK1CYP3A4 | |
| SCHEMBL5742261 | 0.89 | ATM (0.67) | ATMCTSLCTSSCYP3A4CTRB1 | |
| SCHEMBL5742255 | 0.89 | ATM (0.67) | ATMCTSLCTSSCYP3A4CTRB1 | |
| SCHEMBL17765000 | 0.89 | ATM (0.67) | ATMCTSLCTSSCYP3A4CTRB1 | |
| SCHEMBL11205232 | 0.86 | ATM (0.64) | ATMCTSLCTSSCTRB1CNR2 | |
| SCHEMBL12033397 | 0.85 | ATM (0.60) | ATMCTSLCTSSCTRB1MGLL |
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-108148060-B | Substituted heterocyclic compound and derivative thereof, pharmaceutical composition, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2020-06-19 | — | — | CN | disclosed |
| CN-108148060-A | Substituted heterocyclic compound and its derivative, pharmaceutical composition, Preparation method and use | 四川科伦博泰生物医药股份有限公司 | 2018-06-12 | — | — | CN | disclosed |