Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.85 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.85 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3075 | 0.92 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL10684163 | 0.92 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL7517852 | 0.92 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL29903166 | 0.92 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| O-Xylene SCHEMBL9134944 | 0.91 | CYP2A6 (0.77) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL6705962 | 0.90 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| Ammonia Solution, Strong SCHEMBL7539708 | 0.90 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| O-Xylene SCHEMBL7050723 | 0.90 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| Naphthalene SCHEMBL3447588 | 0.90 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| Ammonia Solution, Strong SCHEMBL21796071 | 0.90 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6211398-B1 | CRUDE NAPHTHALENEDICARBOXYLIC ACID IS ESTERIFIED WITH AN ALKANOL SUCH AS METHANOL TO PRODUCE A CRUDE ESTERIFICATION PRODUCT COMPRISING DIALKYL NAPHTHALENEDICARBOXYLATE AND THE PRODUCT IS PURIFIED BY FLASH DISTILLATION | EASTMAN CHEMICAL COMPANY | 2001-04-03 | — | — | US | disclosed |
| EP-1019357-A1 | PROCESS FOR THE PURIFICATION OF NAPHTHALENEDICARBOXYLIC ACID | EASTMAN CHEMICAL COMPANY (US) | 2000-07-19 | — | — | EP | disclosed |
| WO-1999018062-A1 | PROCESS FOR THE PURIFICATION OF NAPHTHALENEDICARBOXYLIC ACID | EASTMAN CHEMICAL COMPANY (US) | 1999-04-15 | — | — | WO | disclosed |