Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28215694 | 0.93 | BACE1 (0.50) | BACE1ALDH1A1HPGDF2GLA | |
| SCHEMBL19490331 | 0.83 | ADORA3 (0.60) | BACE1ALDH1A1HPGDF2GLA | |
| SCHEMBL28849727 | 0.76 | CLK4 (0.61) | ALDH1A1ADORA3SMN1; SMN2KDM4ETP53 | |
| SCHEMBL28389589 | 0.75 | MAPT (0.54) | HSD17B10TP53MAPTNPC1LMNA | |
| SCHEMBL7771404 | 0.74 | NPC1 (0.55) | ALDH1A1ADORA3SMN1; SMN2KDM4ECYP3A4 | |
| SCHEMBL4901774 | 0.74 | CA1 (0.65) | ALDH1A1HPGDGLASMN1; SMN2KDM4E | |
| SCHEMBL28247350 | 0.72 | NCOA1 (0.56) | BACE1ALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL7917933 | 0.72 | MAPT (0.69) | SMN1; SMN2KDM4ETP53MAPTNPC1 | |
| SCHEMBL1704622 | 0.72 | MAPT (0.44) | ALDH1A1HPGDKDM4ETP53MAPT | |
| SCHEMBL4980859 | 0.71 | LMNA (0.49) | ALDH1A1HPGDSMN1; SMN2KDM4ETP53 |
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-108069916-A | A kind of 2,4- diaryl for preparing phenyl ring ortho position acetoxylation substitutes the method for -1,3,5 pyrrolotriazine derivatives | 中国科学院大连化学物理研究所 | 2018-05-25 | — | — | CN | disclosed |