Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 | 7/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | GMNN | O75496 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL146078 | 0.98 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL31513480 | 0.95 | ALDH1A1 (0.48) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL1842505 | 0.95 | ALDH1A1 (0.48) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Fluoride Ion SCHEMBL7552453 | 0.93 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Iodide SCHEMBL28965043 | 0.93 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Bromide SCHEMBL11552667 | 0.93 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL7546886 | 0.93 | ALDH1A1 (0.50) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Water SCHEMBL7550169 | 0.93 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL7546880 | 0.93 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL27518299 | 0.93 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102482620-A | Novel formulations for controlling hardness of ware cleaning solids | ECOLAB USA INC | 2012-05-30 | — | — | CN | disclosed |
| CN-101611126-B | Fast dissolving solid detergent | ECOLAB INC US | 2012-03-21 | — | — | CN | disclosed |
| CN-101611126-A | Fast dissolving solid detergent | ECOLAB INC (US) | 2009-12-23 | — | — | CN | disclosed |