Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.40 |
| ▸ | TMPRSS2 | O15393 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | QDPR | P09417 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29802919 | 0.94 | TMPRSS2 (0.42) | TRPV1TMPRSS2KMT2AQDPRNAMPT | |
| SCHEMBL24670481 | 0.94 | TMPRSS2 (0.42) | TRPV1TMPRSS2KMT2AQDPRNAMPT | |
| Trifluoroacetic Acid SCHEMBL29803374 | 0.89 | TRPV1 (0.40) | TRPV1TMPRSS2KMT2AMAPTMEN1 | |
| Trifluoroacetic Acid SCHEMBL29803766 | 0.88 | ALDH1A1 (0.42) | TRPV1TMPRSS2KMT2ANAMPTMAPT | |
| SCHEMBL24671078 | 0.83 | TRPV1 (0.40) | TRPV1TMPRSS2KMT2ANAMPTMAPT | |
| SCHEMBL29803010 | 0.83 | TRPV1 (0.40) | TRPV1TMPRSS2KMT2ANAMPTMAPT | |
| SCHEMBL24670469 | 0.83 | NAMPT (0.49) | QDPRNAMPT | |
| SCHEMBL29803715 | 0.83 | NAMPT (0.49) | QDPRNAMPT | |
| SCHEMBL24669441 | 0.82 | TMPRSS2 (0.53) | TMPRSS2KMT2AQDPRNAMPTHTR1D | |
| SCHEMBL24670551 | 0.82 | TMPRSS2 (0.44) | TRPV1TMPRSS2KMT2AIMPDH2MAPT |
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-2022192162-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2022-09-15 | — | — | WO | disclosed |