Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | MAOA | P21397 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14309787 | 1.00 | TAAR1 (0.70) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL309757 | 1.00 | TAAR1 (0.70) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL14565868 | 0.95 | TAAR1 (0.79) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL15468609 | 0.95 | TAAR1 (0.79) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL18960514 | 0.92 | MAOA (0.73) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL14396439 | 0.91 | TAAR1 (0.81) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL31097208 | 0.90 | MAOA (0.70) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| Benzidine SCHEMBL29236355 | 0.89 | MAOA (0.76) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL31264296 | 0.89 | MAOA (0.76) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL29350106 | 0.89 | MAOA (0.76) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1880990-A1 | NOVEL ORGANIC ELECTROLUMINESCENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME, AND THIN-FILM-FORMING SOLUTION FOR ORGANIC ELECTROLUMINESCENCE | IDEMITSU KOSAN CO., LTD. (JP) | 2008-01-23 | — | — | EP | disclosed |