Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 2/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21858016 | 0.89 | MAPT (0.46) | ADORA2AKDRAURKAALDH1A1HSD17B10 | |
| SCHEMBL15416821 | 0.88 | KDR (0.47) | ADORA2AKDRAURKAPARP1ADRA1D | |
| SCHEMBL80142 | 0.80 | HDAC1 (0.48) | ADORA2AALDH1A1MAPTNISCHCSF1R | |
| SCHEMBL28367707 | 0.79 | HDAC7 (0.41) | ADORA2AALDH1A1HSD17B10HPGDMAPT | |
| SCHEMBL31160467 | 0.79 | HDAC7 (0.41) | ADORA2AALDH1A1HSD17B10HPGDMAPT | |
| SCHEMBL8780008 | 0.79 | PTGS2 (0.40) | KDRAURKANISCHPTGS2 | |
| Fluoride SCHEMBL30394298 | 0.78 | HDAC1 (0.47) | ADORA2AKDRALDH1A1MAPTNISCH | |
| SCHEMBL28212557 | 0.78 | HDAC1 (0.47) | ADORA2AKDRALDH1A1MAPTNISCH | |
| SCHEMBL27882289 | 0.78 | HDAC1 (0.47) | ADORA2AKDRALDH1A1MAPTNISCH | |
| SCHEMBL27515517 | 0.78 | HDAC1 (0.47) | ADORA2AKDRALDH1A1MAPTNISCH |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114656654-B | Modified lignin self-repairing conductive hydrogel and preparation method and application thereof | 江苏理工学院 | 2023-07-11 | — | — | CN | disclosed |
| EP-2627732-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES | Merck Patent GmbH (DE) | 2013-08-21 | — | — | 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 |
| WO-2012048900-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES | FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. . (DE) | 2012-04-19 | — | — | WO | disclosed |