Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 7/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 7/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 7/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 6/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Imidazole SCHEMBL2339222 | 0.96 | ALDH1A1 (0.52) | ALDH1A1FKBP5HSD17B10CYP1A2HPGD | |
| Imidazole SCHEMBL2121993 | 0.96 | ALDH1A1 (0.52) | ALDH1A1FKBP5HSD17B10CYP1A2HPGD | |
| Benzo[E]Pyrene SCHEMBL29274113 | 0.91 | ALDH1A1 (0.57) | ALDH1A1FKBP5HSD17B10CYP1A2HPGD | |
| Naphthalene SCHEMBL2123892 | 0.86 | ALDH1A1 (0.65) | ALDH1A1FKBP5AHRADRA2A | |
| Naphthalene SCHEMBL338629 | 0.86 | ALDH1A1 (0.65) | ALDH1A1FKBP5AHRADRA2A | |
| Pyrene SCHEMBL22499603 | 0.84 | ALDH1A1 (0.56) | ALDH1A1FKBP5HSD17B10CYP1A2HPGD | |
| Pyrene SCHEMBL16568699 | 0.84 | ALDH1A1 (0.56) | ALDH1A1FKBP5HSD17B10CYP1A2HPGD | |
| Naphthalene SCHEMBL27481708 | 0.84 | ALDH1A1 (0.62) | ALDH1A1FKBP5AHRADRA2A | |
| Phenanthrene SCHEMBL1673168 | 0.82 | ALDH1A1 (0.54) | ALDH1A1FKBP5HSD17B10HPGDADRA2A | |
| Pyrene SCHEMBL28663247 | 0.82 | ALDH1A1 (0.54) | ALDH1A1FKBP5HSD17B10CYP1A2HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4792508-A | STEREOISOMERIC NAPHTHALENE IMIDAZOLE PERYLENES, ARYL AMINES | XEROX CORPORATION (US) | 1988-12-20 | — | — | US | claimed |
| US-4792508-A | STEREOISOMERIC NAPHTHALENE IMIDAZOLE PERYLENES, ARYL AMINES | XEROX CORPORATION (US) | 1988-12-20 | — | — | US | disclosed |