Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 2/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 3/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL31322589 | 0.91 | FFAR4 (0.35) | GPR3FFAR4PTGS2PTGS1 | |
| Trifluoromethanesulfonic Acid SCHEMBL29443425 | 0.90 | GPR3 (0.40) | GPR3FFAR4RAPGEF4EPAS1KCNH2 | |
| Trifluoromethanesulfonic Acid SCHEMBL5707355 | 0.88 | GPR3 (0.41) | GPR3FFAR4EPAS1KCNH2TSHR | |
| Trifluoromethanesulfonic Acid SCHEMBL29462458 | 0.87 | RAPGEF4 (0.41) | GPR3FFAR4RAPGEF4KCNH2CYP1A2 | |
| Trifluoromethanesulfonic Acid SCHEMBL29462456 | 0.86 | GPR3 (0.41) | GPR3FFAR4RAPGEF4KCNH2CYP1A2 | |
| Trifluoromethanesulfonic Acid SCHEMBL29966478 | 0.86 | HSD17B2 (0.34) | GPR3FFAR4CYP1A2CYP3A4CYP2C19 | |
| Trifluoromethanesulfonic Acid SCHEMBL31135514 | 0.86 | GPR3 (0.43) | GPR3FFAR4RAPGEF4KCNH2CYP1A2 | |
| Trifluoromethanesulfonic Acid SCHEMBL30677458 | 0.85 | SLC22A12 (0.32) | GPR3EPAS1PTGS2 | |
| Trifluoromethanesulfonic Acid SCHEMBL31576455 | 0.83 | KMT2A (0.37) | GPR3FFAR4RAPGEF4MEN1KMT2A | |
| Trifluoromethanesulfonic Acid SCHEMBL29462457 | 0.83 | MAPT (0.37) | GPR3FFAR4CYP1A2CYP3A4CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111410603-B | Benzanthrone derivative, preparation method thereof and application thereof in functional pigment | 上海甘田光学材料有限公司 | 2022-12-16 | — | — | CN | disclosed |
| CN-111440137-B | 3, 4-benzocoumarin derivative and preparation method and application thereof | 华东理工大学 | 2022-08-16 | — | — | CN | disclosed |