Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.39 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16591272 | 0.87 | GAA (0.46) | PIK3CDPIK3CGPIK3R1CYP1A2MEN1 | |
| SCHEMBL28505058 | 0.85 | NOTUM (0.47) | NOTUMMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL29870549 | 0.82 | NOTUM (0.43) | NOTUMPIK3CDPIK3CGPIK3R2CYP1A2 | |
| SCHEMBL28496723 | 0.82 | NOTUM (0.43) | NOTUMPIK3CDPIK3CGPIK3R2CYP1A2 | |
| SCHEMBL16596154 | 0.81 | ALDH1A1 (0.43) | NOTUMPIK3CDPIK3CGPIK3R1CYP1A2 | |
| SCHEMBL28508032 | 0.79 | NOTUM (0.52) | NOTUMMEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL29870724 | 0.78 | MAPK1 (0.50) | NOTUMMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL28496791 | 0.78 | MAPK1 (0.50) | NOTUMMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL16591320 | 0.77 | PIK3CD (0.40) | NOTUMPIK3CDMDM2CYP1A2MEN1 | |
| SCHEMBL12943411 | 0.77 | PIK3CD (0.42) | PIK3CDPIK3CGPIK3R1CYP1A2ALDH1A1 |
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-112209876-B | Preparation method of 3-trifluoromethyl isoquinolinone derivative | 华侨大学 | 2022-08-26 | — | — | CN | disclosed |
| CN-112209876-A | Preparation method of 3-trifluoromethyl isoquinolinone derivative | 华侨大学 | 2021-01-12 | — | — | CN | disclosed |