Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.78 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.78 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.42 |
| ▸ | UNG | P13051 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 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 SCHEMBL6005433 | 0.97 | ALDH1A1 (0.82) | ALDH1A1CYP2A6ALOX12RELARAB9A | |
| Benzaldehyde SCHEMBL27617148 | 0.91 | — | — | |
| Benzaldehyde SCHEMBL1330097 | 0.88 | — | — | |
| Benzaldehyde SCHEMBL10051945 | 0.88 | — | — | |
| Benzaldehyde SCHEMBL22400699 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL6061133 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL9236967 | 0.88 | — | — | |
| Benzaldehyde SCHEMBL896024 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL573 | 0.88 | — | — | |
| Benzaldehyde SCHEMBL11784651 | 0.85 | ALDH1A1 (0.93) | ALDH1A1CYP2A6LMNATRPA1ALOX5 |
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-107533290-A | RESIST BASE MATERIAL, RESIST COMPOSITION, AND METHOD FOR FORMING RESIST PATTERN | 三菱瓦斯化学株式会社 | 2018-01-02 | — | — | CN | disclosed |
| CN-103717562-B | Cyclic compound, its manufacture method, compositions and corrosion-resisting pattern forming method | 三菱瓦斯化学株式会社 | 2016-08-24 | — | — | CN | disclosed |