Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 2/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 6/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Malonic Acid SCHEMBL29037365 | 0.93 | ATM (0.37) | CYP4F2CYP4A11ATMMEN1KMT2A | |
| SCHEMBL7517904 | 0.87 | MAPT (0.40) | CYP4F2CYP4A11ATMMEN1KMT2A | |
| SCHEMBL2146094 | 0.82 | MMP8 (0.38) | CYP4F2CYP4A11ATMMEN1KMT2A | |
| SCHEMBL12504444 | 0.81 | CA2 (0.36) | CYP4F2CYP4A11ATMMEN1KMT2A | |
| SCHEMBL2345589 | 0.80 | CA2 (0.37) | ATMCA2CA1TSHRCYP3A4 | |
| SCHEMBL8776491 | 0.80 | MMP8 (0.37) | CYP4F2CYP4A11ATMMEN1KMT2A | |
| SCHEMBL13269591 | 0.80 | CYP4F2 (0.37) | CYP4F2CYP4A11ATMMEN1KMT2A | |
| SCHEMBL29287145 | 0.79 | FAAH (0.47) | ATMMEN1KMT2AMAPTCYP3A4 | |
| SCHEMBL12504261 | 0.78 | GPR84 (0.40) | ATMMEN1KMT2AMAPTL3MBTL1 | |
| SCHEMBL12504483 | 0.78 | GPR84 (0.40) | ATMMEN1KMT2AMAPTL3MBTL1 |
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-116267930-A | Application of diethyl 2-butyl-2-ethylheptanoate in induction of synthesis of benzoxazine substances | 云南农业大学 | 2023-06-23 | — | — | CN | claimed |
| CN-116267930-A | Application of diethyl 2-butyl-2-ethylheptanoate in induction of synthesis of benzoxazine substances | 云南农业大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-116267930-A | Application of diethyl 2-butyl-2-ethylheptanoate in induction of synthesis of benzoxazine substances | 云南农业大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-116267930-A | Application of diethyl 2-butyl-2-ethylheptanoate in induction of synthesis of benzoxazine substances | 云南农业大学 | 2023-06-23 | — | — | CN | disclosed |