Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.45 |
| ▸ | S100A4 | P26447 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | CLK1 | P49759 | 4/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | PRKACG | P22612 | 1/20 | 0.43 |
| ▸ | PRKACB | P22694 | 1/20 | 0.43 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.43 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.43 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CSNK1G2 | P78368 | 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 | |
|---|---|---|---|---|
| SCHEMBL19074303 | 0.89 | TDO2 (0.49) | ADRA1AADRA1BS100A4TRPV1CCNB2 | |
| SCHEMBL204357 | 0.80 | S100A4 (0.61) | S100A4TRPV1 | |
| SCHEMBL27007995 | 0.79 | CYP2A6 (0.47) | IMPDH2CYP2A6ADRA1AADRA1BS100A4 | |
| SCHEMBL28815409 | 0.74 | S100A4 (0.48) | CYP2A6S100A4TRPV1PTGES | |
| SCHEMBL24214820 | 0.73 | GPR84 (0.50) | CYP2A6S100A4TRPV1CLK1CDK5 | |
| SCHEMBL11731287 | 0.73 | GABRA1 (0.54) | S100A4TRPV1PTGES | |
| SCHEMBL5443201 | 0.73 | ADRA1A (0.65) | IMPDH2CYP2A6ADRA1AADRA1BS100A4 | |
| SCHEMBL14906924 | 0.72 | S100A4 (0.56) | S100A4TRPV1 | |
| SCHEMBL17422753 | 0.71 | IMPDH2 (0.75) | IMPDH2CYP2A6ADRA1AADRA1BCLK1 | |
| SCHEMBL5321726 | 0.71 | S100A4 (0.54) | S100A4TRPV1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2617724-B1 | ORGANIC ELECTROLUMINESCENT DEVICE | NIPPON STEEL & SUMIKIN CHEM CO (JP) | 2017-07-05 | — | — | EP | disclosed |
| US-8766248-B2 | Nitrogen-containing aromatic compound, organic semiconductor material, and organic electronic device | NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) | 2014-07-01 | — | — | US | disclosed |
| US-8766248-B2 | Nitrogen-containing aromatic compound, organic semiconductor material, and organic electronic device | NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) | 2014-07-01 | — | — | US | disclosed |
| EP-2617724-A1 | NITROGENATED AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE | Nippon Steel & Sumikin Chemical Co., Ltd. (JP) | 2013-07-24 | — | — | EP | disclosed |
| US-20130150576-A1 | NITROGEN-CONTAINING AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE | NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) | 2013-06-13 | — | — | US | disclosed |
| US-20130150576-A1 | NITROGEN-CONTAINING AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE | NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) | 2013-06-13 | — | — | US | disclosed |