Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28215172 | 0.93 | BACE1 (0.58) | BACE1HPGDALDH1A1F2GLA | |
| SCHEMBL19490331 | 0.79 | ADORA3 (0.60) | BACE1HPGDALDH1A1F2GLA | |
| SCHEMBL8383100 | 0.73 | SIRT2 (0.46) | POLBNPSR1KMT2AMAPTMEN1 | |
| SCHEMBL28809220 | 0.72 | KMT2A (0.43) | POLBNPSR1KMT2AMAPTMEN1 | |
| SCHEMBL7771404 | 0.71 | NPC1 (0.55) | ALDH1A1KMT2AMAPTMEN1ADORA3 | |
| SCHEMBL28849727 | 0.69 | CLK4 (0.61) | ALDH1A1NPSR1KMT2AMAPTMEN1 | |
| SCHEMBL28389589 | 0.69 | MAPT (0.54) | KMT2AMAPTMEN1LMNANPC1 | |
| SCHEMBL28247350 | 0.69 | NCOA1 (0.56) | BACE1HPGDALDH1A1NPSR1KMT2A | |
| SCHEMBL4644027 | 0.68 | BACE1 (0.56) | BACE1HPGDALDH1A1F2GLA | |
| SCHEMBL12228435 | 0.68 | KMT2A (0.50) | HPGDNPSR1KMT2AMAPTMEN1 |
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 |