Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.73 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 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 | |
|---|---|---|---|---|
| Tannin Pyrogallol SCHEMBL9715545 | 0.92 | ALDH1A1 (0.69) | CYP2A6ALOX12ALDH1A1ESR1ESR2 | |
| Biphenyl SCHEMBL28085106 | 0.87 | ALDH1A1 (0.75) | CYP2A6ALOX12ALDH1A1ESR1ESR2 | |
| Biphenyl SCHEMBL4091435 | 0.87 | ALDH1A1 (0.75) | CYP2A6ALOX12ALDH1A1ESR1ESR2 | |
| Naphthalene SCHEMBL30685720 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| Naphthalene SCHEMBL8613802 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| Naphthalene SCHEMBL29358073 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| Naphthalene SCHEMBL1330659 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| Naphthalene SCHEMBL1331142 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| Naphthalene SCHEMBL1332240 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| Naphthalene SCHEMBL8953 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 |
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-108693270-B | Method for separating polycyclic aromatic hydrocarbon by using low-polarity rosin-based polymer chromatographic column | 广西民族大学 | 2021-09-24 | — | — | CN | disclosed |