Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.55 |
| ▸ | NOS1 | P29475 | 1/20 | 0.55 |
| ▸ | NOS2 | P35228 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | SREBF2 | Q12772 | 9/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL487201 | 0.89 | KDM4E (0.56) | NOS3NOS1NOS2KDM4ELMNA | |
| SCHEMBL2552826 | 0.88 | NOS2 (0.52) | NOS3NOS1NOS2KDM4ELMNA | |
| SCHEMBL13337725 | 0.87 | NOS3 (0.55) | NOS3NOS1NOS2KDM4ELMNA | |
| SCHEMBL31280277 | 0.86 | NOS3 (0.50) | NOS3NOS1NOS2KDM4ELMNA | |
| SCHEMBL2550616 | 0.86 | NOS3 (0.50) | NOS3NOS1NOS2KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL11420925 | 0.85 | NOS3 (0.53) | NOS3NOS1NOS2KDM4ELMNA | |
| SCHEMBL30019258 | 0.84 | KCNH2 (0.48) | NOS3NOS1NOS2KDM4ELMNA | |
| SCHEMBL27630660 | 0.84 | KCNH2 (0.48) | NOS3NOS1NOS2KDM4ELMNA | |
| SCHEMBL2555626 | 0.84 | KCNH2 (0.48) | NOS3NOS1NOS2KDM4ELMNA | |
| Tetradecane SCHEMBL27660314 | 0.84 | KCNH2 (0.48) | NOS3NOS1NOS2KDM4ELMNA |
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-116263437-A | Structure characterization method of aromatic nitrogen heterocyclic compound in petroleum fraction | 中国石油天然气股份有限公司 | 2023-06-16 | — | — | CN | disclosed |
| WO-2022120355-A1 | TEAD DEGRADERS AND USES THEREOF | Ikena Oncology, Inc. (US) | 2022-06-09 | — | — | WO | disclosed |
| EP-2900660-B1 | HERBICIDAL AND FUNGICIDAL 3-HETEROARYLISOXAZOLIN-5-CARBOXAMIDES AND 3-HETEROARYLISOXAZOLIN-5-THIOAMIDES | BAYER CROPSCIENCE AG (DE) | 2018-01-17 | — | — | EP | disclosed |
| EP-2900644-B1 | HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLIN-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLIN-5-THIOAMIDES | BAYER CROPSCIENCE AG (DE) | 2016-09-21 | — | — | EP | disclosed |