Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.80 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.80 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6806439 | 0.95 | CYP2A6 (0.89) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| SCHEMBL29352674 | 0.95 | CYP2A6 (0.89) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL30984504 | 0.95 | CYP2A6 (0.89) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL1518058 | 0.95 | CYP2A6 (0.89) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL11145450 | 0.90 | CYP2A6 (0.80) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL10438031 | 0.90 | CYP2A6 (0.80) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL1330659 | 0.89 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL1331142 | 0.89 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL1332240 | 0.89 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL8613802 | 0.89 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR |
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-2011142777-A1 | CYCLOOCTATETRAENE-BASED CATHODE FOR ELECTROCHEMICAL CELLS | PDB POWER SYSTEMS, LLC (US) | 2011-11-17 | — | — | WO | disclosed |