Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | AGXT | P21549 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL3500443 | 0.87 | CYP2A6 (0.67) | CYP2A6CYP1A2AGXTTDP1KDM4E | |
| SCHEMBL112792 | 0.80 | CYP1A2 (1.00) | CYP2A6CYP1A2AGXTTDP1KDM4E | |
| SCHEMBL5311432 | 0.80 | CYP1A2 (1.00) | CYP2A6CYP1A2AGXTTDP1KDM4E | |
| SCHEMBL29353188 | 0.80 | CYP1A2 (1.00) | CYP2A6CYP1A2AGXTTDP1KDM4E | |
| Water SCHEMBL17079094 | 0.78 | CYP1A2 (0.95) | CYP2A6CYP1A2AGXTTDP1KDM4E | |
| SCHEMBL11884025 | 0.78 | CYP1A2 (0.95) | CYP2A6CYP1A2AGXTTDP1KDM4E | |
| SCHEMBL27498364 | 0.78 | CYP1A2 (0.95) | CYP2A6CYP1A2AGXTTDP1KDM4E | |
| Methane SCHEMBL9286464 | 0.78 | CYP1A2 (0.95) | CYP2A6CYP1A2AGXTTDP1KDM4E | |
| Ethane SCHEMBL28740950 | 0.78 | CYP1A2 (0.95) | CYP2A6CYP1A2AGXTTDP1KDM4E | |
| Naphthalene SCHEMBL18344242 | 0.78 | CYP1A2 (0.95) | CYP2A6CYP1A2AGXTTDP1KDM4E |
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-2020160377-A1 | GAS SENSING IDENTIFICATION | C2Sense, Inc. (US) | 2020-08-06 | — | — | WO | disclosed |