Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMPRSS4 | Q9NRS4 | 6/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PDE2A | O00408 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | P2RX1 | P51575 | 4/20 | 0.44 |
| ▸ | P2RX4 | Q99571 | 4/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMO | Q99835 | 1/20 | 0.44 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25348663 | 0.83 | TMPRSS4 (0.62) | TMPRSS4TSHRSMN1; SMN2TRPV1CA12 | |
| SCHEMBL24481356 | 0.82 | TMPRSS4 (0.53) | TMPRSS4TSHRSMN1; SMN2TRPV1CA12 | |
| SCHEMBL18341424 | 0.80 | NPC1 (0.54) | TMPRSS4TDP1TRPV1CA12CA1 | |
| SCHEMBL16147903 | 0.80 | TMPRSS4 (0.60) | TMPRSS4CYP1A2CYP3A4CYP2C19TDP1 | |
| SCHEMBL18341401 | 0.79 | TMPRSS4 (0.79) | TMPRSS4CYP1A2CYP3A4CYP2C19TDP1 | |
| SCHEMBL30100391 | 0.79 | TMPRSS4 (0.79) | TMPRSS4CYP1A2CYP3A4CYP2C19TDP1 | |
| SCHEMBL17515738 | 0.79 | TMPRSS4 (0.54) | TMPRSS4CYP1A2CYP3A4CYP2C19TDP1 | |
| SCHEMBL20206206 | 0.78 | TMPRSS4 (0.65) | TMPRSS4CYP1A2CYP3A4CYP2C19TDP1 | |
| SCHEMBL20415511 | 0.78 | KCNMA1 (0.66) | TMPRSS4TRPV1P2RX1P2RX4P2RX7 | |
| SCHEMBL331420 | 0.77 | TMPRSS4 (0.63) | TMPRSS4CYP1A2CYP3A4CYP2C19TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022111526-A1 | BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2022-06-02 | — | — | WO | disclosed |