Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 3/20 | 0.31 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | STAT3 | P40763 | 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 | |
|---|---|---|---|---|
| SCHEMBL15430 | 0.84 | CYP3A4 (0.70) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL308386 | 0.83 | CYP3A4 (0.52) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL31650976 | 0.83 | CYP3A4 (0.52) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL330724 | 0.81 | CYP3A4 (0.50) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL11796884 | 0.81 | CYP3A4 (0.50) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL1878165 | 0.81 | TSHR (0.55) | CYP3A4TSHRTRPA1CA12CA1 | |
| Water SCHEMBL28889229 | 0.81 | CYP3A4 (0.67) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| Ammonia Solution, Strong SCHEMBL28239770 | 0.81 | CYP3A4 (0.67) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL27741428 | 0.81 | CYP3A4 (0.67) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| Methane SCHEMBL3628336 | 0.79 | TSHR (0.52) | CYP3A4TSHRTRPA1CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-1018405-A | — | — | None | — | — | JP | disclosed |
| JP-S6418405-A | SEPARATION MEMBRANE | TEIJIN LTD | 1989-01-23 | — | — | JP | disclosed |