Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28421232 | 0.91 | CYP1A2 (0.33) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| Formic Acid SCHEMBL28415459 | 0.90 | NAAA (0.34) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| Formic Acid SCHEMBL28414945 | 0.89 | NAAA (0.36) | — | |
| SCHEMBL4616111 | 0.88 | CYP1A2 (0.34) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| Formic Acid SCHEMBL28417270 | 0.87 | CYP3A4 (0.36) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL9006690 | 0.86 | CYP1A2 (0.31) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL15066450 | 0.79 | CYP1A2 (0.40) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL11055433 | 0.78 | — | — | |
| SCHEMBL29397854 | 0.77 | LMNA (0.36) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL21462929 | 0.77 | CYP1A2 (0.39) | CYP1A2SIGMAR1 |
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-109336814-B | 4- (alkyl dicyclohexyl) -substituted naphthalimide derivative, and preparation method and application thereof | 大连理工大学 | 2020-08-14 | — | — | CN | claimed |
| CN-109180639-B | Substituted naphthalimide derivative, preparation method and application thereof | 大连理工大学 | 2020-06-02 | — | — | CN | claimed |
| CN-109336814-B | 4- (alkyl dicyclohexyl) -substituted naphthalimide derivative, and preparation method and application thereof | 大连理工大学 | 2020-08-14 | — | — | CN | disclosed |
| CN-109180639-B | Substituted naphthalimide derivative, preparation method and application thereof | 大连理工大学 | 2020-06-02 | — | — | CN | disclosed |