Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Naphthalene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | F2 | P00734 | 2/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Anthracene SCHEMBL31722820 | 0.90 | CYP1A2 (0.43) | CYP2A6CYP1A2F2PRSS1PRSS2 | |
| Phenazine SCHEMBL10876543 | 0.83 | MAPT (0.50) | CYP1A2SMN1; SMN2LMNAL3MBTL1HTT | |
| Phenazine SCHEMBL2873102 | 0.83 | MAPT (0.50) | CYP1A2SMN1; SMN2LMNAL3MBTL1HTT | |
| Phenazine SCHEMBL94396 | 0.83 | MAPT (0.50) | CYP1A2SMN1; SMN2LMNAL3MBTL1HTT | |
| Isoquinoline SCHEMBL11524506 | 0.82 | CYP3A4 (0.39) | SMN1; SMN2LMNACA1CA2CA9 | |
| Catechol SCHEMBL17165629 | 0.82 | CA2 (0.50) | ALOX12CYP1A2SMN1; SMN2LMNAL3MBTL1 | |
| Naphthalene SCHEMBL30662547 | 0.81 | CYP2A6 (0.44) | CYP2A6ALOX12CYP1A2F2PRSS1 | |
| Naphthalene SCHEMBL5962129 | 0.81 | CYP2A6 (0.44) | CYP2A6ALOX12CYP1A2F2PRSS1 | |
| Acridine SCHEMBL2823221 | 0.81 | ALDH1A1 (0.58) | CYP1A2SMN1; SMN2LMNATDP1KDM4E | |
| Naphthalene SCHEMBL476327 | 0.80 | ALOX12 (0.50) | CYP2A6ALOX12F2PRSS1PRSS2 |
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-213295063-U | Recovery device for treating naphthylmethyl ether sulfuric acid mother liquor | 江苏大学 | 2021-05-28 | — | — | CN | disclosed |