Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.45 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12315063 | 0.82 | CYP1A2 (0.43) | CYP1A2EPHX1TRPA1ALPIPKM | |
| SCHEMBL8108589 | 0.80 | EPHX1 (0.50) | CYP1A2EPHX1TRPA1ALPIPKM | |
| SCHEMBL28505165 | 0.80 | EPHX1 (0.50) | CYP1A2EPHX1TRPA1ALPIPKM | |
| SCHEMBL27320808 | 0.80 | EPHX1 (0.50) | CYP1A2EPHX1TRPA1ALPIPKM | |
| SCHEMBL707068 | 0.80 | EPHX1 (0.50) | CYP1A2EPHX1TRPA1ALPIPKM | |
| Hydrochloric Acid SCHEMBL27858040 | 0.78 | CYP1A2 (0.48) | CYP1A2EPHX1TRPA1ALPIPKM | |
| SCHEMBL29222036 | 0.76 | CYP1A2 (0.57) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL12265989 | 0.76 | CYP1A2 (0.42) | CYP1A2EPHX1TRPA1ALPIPKM | |
| SCHEMBL9341304 | 0.76 | EPHX1 (0.42) | CYP1A2EPHX1TRPA1ALPIPKM | |
| SCHEMBL13330794 | 0.75 | TRPA1 (0.54) | CYP1A2EPHX1TRPA1ALPIPKM |
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 |
|---|---|---|---|---|---|---|---|
| CN-116583261-A | Method for combating microorganisms using menthol derivatives | 西姆莱斯股份公司 | 2023-08-11 | — | — | CN | claimed |