Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1353684 | 0.87 | NOS1 (0.39) | NOS1NOS3NOS2LMNAKMT2A | |
| SCHEMBL5409743 | 0.86 | NOS1 (0.36) | NOS1NOS3NOS2LMNAKMT2A | |
| SCHEMBL7936428 | 0.82 | NOS1 (0.34) | NOS1NOS3NOS2LMNAKMT2A | |
| SCHEMBL221769 | 0.81 | ALDH1A1 (0.39) | NOS1NOS3NOS2LMNAKMT2A | |
| SCHEMBL5209072 | 0.81 | ALDH1A1 (0.39) | NOS1NOS3NOS2LMNAKMT2A | |
| SCHEMBL16340968 | 0.81 | NOS1 (0.39) | NOS1NOS3NOS2LMNAKMT2A | |
| SCHEMBL523836 | 0.79 | DGAT1 (0.41) | NOS1NOS3NOS2LMNAKMT2A | |
| SCHEMBL27549577 | 0.79 | NOS1 (0.35) | NOS1NOS3NOS2LMNAKMT2A | |
| SCHEMBL27572159 | 0.77 | NOS1 (0.37) | NOS1NOS3NOS2LMNAKMT2A | |
| SCHEMBL29019393 | 0.77 | NOS1 (0.39) | NOS1NOS3NOS2LMNAKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108264511-A | Heterocyclic derivative and preparation method thereof and its purposes in medicine | 浙江海正药业股份有限公司 | 2018-07-10 | — | — | CN | disclosed |
| CN-107400092-A | Pyridine derivatives and preparation method thereof and its purposes in medicine | 浙江海正药业股份有限公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-104640852-B | DNA-PK inhibitors | 沃泰克斯药物股份有限公司 | 2017-04-26 | — | — | CN | disclosed |
| CN-106496173-A | Method for preparing the compound that can be used as ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-03-15 | — | — | CN | disclosed |