Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.89 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.89 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.89 |
| ▸ | HPGD | P15428 | 5/20 | 0.89 |
| ▸ | THRB | P10828 | 1/20 | 0.89 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.60 |
| ▸ | FYN | P06241 | 1/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | ACHE | P22303 | 1/20 | 0.60 |
| ▸ | AHR | P35869 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 7/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.53 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL2539407 | 0.95 | HSD17B10 (0.80) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| Benzo[E]Pyrene SCHEMBL29432647 | 0.94 | ALDH1A1 (1.00) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| Benzo[E]Pyrene SCHEMBL29357057 | 0.94 | ALDH1A1 (1.00) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| Benzo[E]Pyrene SCHEMBL24020 | 0.94 | ALDH1A1 (1.00) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| Benzo[E]Pyrene SCHEMBL4983272 | 0.94 | ALDH1A1 (1.00) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| SCHEMBL4853423 | 0.93 | ALDH1A1 (0.76) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| SCHEMBL4854081 | 0.93 | HSD17B10 (0.76) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| SCHEMBL1977966 | 0.93 | HSD17B10 (0.76) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| SCHEMBL4847683 | 0.93 | HSD17B10 (0.76) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| Benzo[E]Pyrene SCHEMBL1179468 | 0.92 | ALDH1A1 (0.94) | ALDH1A1HSD17B10CYP1A2HPGDTHRB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106806366-B | New application of isoindole-1, 3-diketone compound | 兰州大学 | 2020-02-11 | — | — | CN | disclosed |
| CN-106806366-A | A kind of new application of the cyclohexadione compounds of iso-indoles 1,3 | 兰州大学 | 2017-06-09 | — | — | CN | disclosed |
| US-7470290-B2 | Hydroscopic polymer gels for easier cleaning | THE CLOROX COMPANY (US) | 2008-12-30 | — | — | US | disclosed |
| US-7183010-B2 | Organic light-emitting diode devices with improved operational stability | EASTMAN KODAK CORPORATION (US) | 2007-02-27 | — | — | US | disclosed |
| US-20050245428-A1 | Hydroscopic polymer gels for easier cleaning | RODRIGUES KLIN A | 2005-11-03 | — | — | US | disclosed |
| US-20040076853-A1 | Organic light-emitting diode devices with improved operational stability | EASTMAN KODAK COMPANY | 2004-04-22 | — | — | US | disclosed |