Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CCR9 | P51686 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6398115 | 0.93 | CYP1A2 (0.62) | CYP2A6CYP1A2TSHRTDP1ALDH1A1 | |
| SCHEMBL29209229 | 0.90 | CYP2A6 (0.63) | CYP2A6CYP1A2TSHRTDP1ALDH1A1 | |
| SCHEMBL30010643 | 0.88 | ALDH1A1 (0.50) | CYP2A6CYP1A2TSHRTDP1ALDH1A1 | |
| SCHEMBL7521505 | 0.88 | ALDH1A1 (0.50) | CYP2A6CYP1A2TSHRTDP1ALDH1A1 | |
| SCHEMBL29447635 | 0.80 | ALDH1A1 (0.48) | CYP1A2TSHRTDP1ALDH1A1HPGD | |
| SCHEMBL29438045 | 0.80 | ALDH1A1 (0.48) | CYP1A2TSHRTDP1ALDH1A1HPGD | |
| SCHEMBL3418351 | 0.80 | ALDH1A1 (0.48) | CYP1A2TSHRTDP1ALDH1A1HPGD | |
| SCHEMBL29438049 | 0.80 | ALDH1A1 (0.48) | CYP1A2TSHRTDP1ALDH1A1HPGD | |
| SCHEMBL983124 | 0.80 | ALDH1A1 (0.48) | CYP1A2TSHRTDP1ALDH1A1HPGD | |
| SCHEMBL18210778 | 0.80 | CYP2A6 (0.61) | CYP2A6CYP1A2TDP1BACE1 |
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-113233953-B | Method for preparing 2, 6-di-tert-butyl naphthalene with high selectivity by naphthalene alkylation | 浙江大学 | 2022-11-18 | — | — | CN | disclosed |
| CN-113233953-A | Method for preparing 2, 6-di-tert-butyl naphthalene with high selectivity by naphthalene alkylation | 浙江大学 | 2021-08-10 | — | — | CN | disclosed |
| CN-105601459-A | Method for preparing 2-methyl-6-tert-butylnaphthalene from 2-methylnaphthalene through alkylation | DALIAN INST CHEMICAL PHYSICS CAS | 2016-05-25 | — | — | CN | disclosed |