Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28496723 | 1.00 | NOTUM (0.43) | NOTUMMAPK1SIRT2SIRT1PIK3CD | |
| SCHEMBL29870724 | 0.85 | MAPK1 (0.50) | NOTUMMAPK1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28496791 | 0.85 | MAPK1 (0.50) | NOTUMMAPK1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28509733 | 0.82 | NOTUM (0.48) | NOTUMPIK3CDPIK3CGPIK3CACYP1A2 | |
| SCHEMBL28505058 | 0.75 | NOTUM (0.47) | NOTUMALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL28508032 | 0.74 | NOTUM (0.52) | NOTUMMAPK1ALDH1A1MEN1POLB | |
| SCHEMBL16630774 | 0.73 | PIK3CD (0.49) | MAPK1SIRT2SIRT1PIK3CDPIK3CG | |
| SCHEMBL28202823 | 0.72 | ALDH1A1 (0.50) | NOTUMMAPK1ALDH1A1KDM4EMEN1 | |
| SCHEMBL28369700 | 0.70 | NOTUM (0.50) | NOTUMMAPK1ALDH1A1KDM4EMAPT | |
| SCHEMBL14933494 | 0.70 | KDM4E (0.53) | MAPK1CYP2C9CYP2C19CYP1A2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112209876-B | Preparation method of 3-trifluoromethyl isoquinolinone derivative | 华侨大学 | 2022-08-26 | — | — | CN | disclosed |