Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.94 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.94 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 5/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL21796071 | 1.00 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| Methane SCHEMBL28288328 | 0.97 | CYP2A6 (0.90) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL10684163 | 0.97 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL3075 | 0.97 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL7517852 | 0.97 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL29903166 | 0.97 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL6705962 | 0.94 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL14953945 | 0.94 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| Naphthalene SCHEMBL3447588 | 0.94 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| O-Xylene SCHEMBL7050723 | 0.94 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106397215-A | Synthesis method of Naftifine drug intermediate N-methyl-1-naphthalenemethyl amine | 厦门市凯尔利信息科技有限公司 | 2017-02-15 | — | — | CN | claimed |
| CN-106359371-A | Application of 2, 6-dimethyl naphthalene as insecticide additive, and preparation method of 2, 6-dimethyl naphthalene | 海南汉地阳光石油化工有限公司 | 2017-02-01 | — | — | CN | claimed |
| CN-105503614-A | Synthetic method of naftifine drug intermediate N-methyl-1-naphthalene | CHENGDU QIESITE TECH CO LTD | 2016-04-20 | — | — | CN | claimed |
| EP-1204645-A2 | MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2002-05-15 | — | — | EP | claimed |
| WO-2001010842-A2 | MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2001-02-15 | — | — | WO | claimed |
| CN-106397215-A | Synthesis method of Naftifine drug intermediate N-methyl-1-naphthalenemethyl amine | 厦门市凯尔利信息科技有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-106397215-A | Synthesis method of Naftifine drug intermediate N-methyl-1-naphthalenemethyl amine | 厦门市凯尔利信息科技有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-106359371-A | Application of 2, 6-dimethyl naphthalene as insecticide additive, and preparation method of 2, 6-dimethyl naphthalene | 海南汉地阳光石油化工有限公司 | 2017-02-01 | — | — | CN | disclosed |
| CN-105503614-A | Synthetic method of naftifine drug intermediate N-methyl-1-naphthalene | CHENGDU QIESITE TECH CO LTD | 2016-04-20 | — | — | CN | disclosed |
| CN-105503614-A | Synthetic method of naftifine drug intermediate N-methyl-1-naphthalene | CHENGDU QIESITE TECH CO LTD | 2016-04-20 | — | — | CN | disclosed |