Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 3/20 | 0.52 |
| ▸ | AGXT | P21549 | 1/20 | 0.52 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.49 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.47 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL22698824 | 0.98 | CYP3A4 (0.60) | TAAR1CYP3A4HSD17B10TDP1MAOA | |
| SCHEMBL7138806 | 0.96 | CYP3A4 (0.58) | TAAR1CYP3A4HSD17B10TDP1MAOA | |
| SCHEMBL29130816 | 0.86 | MAOA (0.65) | TAAR1CYP3A4MAOAAGXTPTPN5 | |
| SCHEMBL29040199 | 0.86 | ACMSD (0.61) | TAAR1CYP3A4AGXTPTPN5ACMSD | |
| SCHEMBL2843937 | 0.85 | AGXT (0.59) | TAAR1MAOAAGXTPTPN5ACMSD | |
| SCHEMBL15468609 | 0.85 | TAAR1 (0.79) | TAAR1CYP3A4HSD17B10TDP1MAOA | |
| SCHEMBL14565868 | 0.85 | TAAR1 (0.79) | TAAR1CYP3A4HSD17B10TDP1MAOA | |
| SCHEMBL31498881 | 0.83 | CALM1 (0.60) | TAAR1MAOAAGXTPTPN5ACMSD | |
| Benzidine SCHEMBL28918829 | 0.83 | CYP3A4 (0.67) | TAAR1CYP3A4HSD17B10TDP1MAOA | |
| SCHEMBL9625135 | 0.83 | CALM1 (0.60) | TAAR1MAOAAGXTPTPN5ACMSD |
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-3312255-A1 | COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE | Samsung SDI Co., Ltd. (KR) | 2018-04-25 | — | — | EP | disclosed |