Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.41 |
| ▸ | ITGAL | P20701 | 1/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22954232 | 0.84 | CYP2A6 (0.46) | CYP2A6ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL3822591 | 0.83 | CYP2A6 (0.50) | CYP2A6ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL29463710 | 0.79 | ALDH1A1 (0.48) | CYP2A6ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL31281983 | 0.79 | ALDH1A1 (0.48) | CYP2A6ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL677653 | 0.79 | ALDH1A1 (0.48) | CYP2A6ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL3823133 | 0.79 | CYP2A6 (0.42) | CYP2A6ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL12124161 | 0.77 | ALDH1A1 (0.46) | CYP2A6ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL632553 | 0.76 | CYP2A6 (0.56) | CYP2A6ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL30413091 | 0.76 | CYP2A6 (0.56) | CYP2A6ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL23206124 | 0.75 | CYP2A6 (0.42) | CYP2A6ALDH1A1HSD17B10HPGDTSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1426392-B1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2010-02-24 | — | — | EP | disclosed |
| US-6960640-B2 | Composition for optical material | MITSUBISHI GAS CHEMICAL CO., LTD. (JP) | 2005-11-01 | — | — | US | disclosed |
| US-20040147708-A1 | Composition for optical material | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-07-29 | — | — | US | disclosed |
| EP-1426392-A1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-06-09 | — | — | EP | disclosed |