Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13417726 | 0.95 | DRD2 (0.44) | DRD2ALDH1A1SMN1; SMN2TP53CYP3A4 | |
| SCHEMBL13198972 | 0.95 | DRD2 (0.44) | DRD2ALDH1A1SMN1; SMN2TP53CYP3A4 | |
| SCHEMBL3158667 | 0.85 | SLC6A4 (0.45) | DRD2ALDH1A1SMN1; SMN2MEN1MAPK1 | |
| SCHEMBL3158680 | 0.85 | SLC6A4 (0.45) | DRD2ALDH1A1SMN1; SMN2MEN1MAPK1 | |
| SCHEMBL1515026 | 0.84 | DRD2 (0.59) | DRD2ALDH1A1SMN1; SMN2MEN1MAPK1 | |
| SCHEMBL6451917 | 0.84 | KDM1A (0.39) | DRD2ALDH1A1SMN1; SMN2TP53CYP3A4 | |
| SCHEMBL6451918 | 0.84 | KDM1A (0.39) | DRD2ALDH1A1SMN1; SMN2TP53CYP3A4 | |
| SCHEMBL2721989 | 0.82 | DRD2 (0.47) | DRD2ALDH1A1SMN1; SMN2MEN1MAPK1 | |
| SCHEMBL2721988 | 0.82 | DRD2 (0.47) | DRD2ALDH1A1SMN1; SMN2MEN1MAPK1 | |
| SCHEMBL15274896 | 0.81 | NQO1 (0.45) | DRD2ALDH1A1TSHRMEN1KMT2A |
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-20130248762-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2013-09-26 | — | — | US | disclosed |
| EP-2116522-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY | Chisso Corporation (JP) | 2009-11-11 | — | — | EP | disclosed |