Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.89 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.89 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL28081404 | 1.00 | CYP2A6 (0.89) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL49569 | 1.00 | CYP2A6 (0.89) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL16097339 | 1.00 | CYP2A6 (0.89) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL27445746 | 0.95 | CYP2A6 (0.80) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL6705963 | 0.95 | CYP2A6 (0.80) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL16289669 | 0.95 | CYP2A6 (0.80) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL16289671 | 0.95 | CYP2A6 (0.80) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL2797383 | 0.95 | CYP2A6 (0.80) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL27520178 | 0.95 | CYP2A6 (0.80) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Naphthalene SCHEMBL8953 | 0.94 | 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 |
|---|---|---|---|---|---|---|---|
| US-4432225-A | For analyzing a sample of vaporizable molecules | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1984-02-21 | — | — | US | disclosed |