Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
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 SCHEMBL8081934 | 0.97 | CYP2A6 (0.50) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| Naphthalene SCHEMBL27496066 | 0.97 | CYP2A6 (0.50) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| Anthracene SCHEMBL28328637 | 0.89 | NQO2 (0.40) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| Phenanthrene SCHEMBL27586708 | 0.87 | ALDH1A1 (0.60) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| Phenanthrene SCHEMBL28869286 | 0.87 | ALDH1A1 (0.60) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| Anthracene SCHEMBL28182618 | 0.86 | ALDH1A1 (0.39) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| SCHEMBL27708412 | 0.83 | ALDH1A1 (0.42) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| Benz(B)Anthracene SCHEMBL27993018 | 0.83 | ALDH1A1 (0.42) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| SCHEMBL27695837 | 0.81 | ALDH1A1 (0.39) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| SCHEMBL28272504 | 0.79 | MEN1 (0.38) | ALDH1A1HSD17B10TDP1TSHRMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104098597-B | A kind of method of synthesis 4a, 8a-boron azepine naphthalene and its derivative | 同济大学 | 2016-08-24 | — | — | CN | disclosed |
| CN-104098597-B | A kind of method of synthesis 4a, 8a-boron azepine naphthalene and its derivative | 同济大学 | 2016-08-24 | — | — | CN | disclosed |