Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.40 |
| ▸ | NAAA | Q02083 | 4/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL802726 | 0.90 | PTGS2 (0.43) | TDP2KDM1APTGS2NAAAPTGS1 | |
| SCHEMBL10030943 | 0.90 | PTGS2 (0.43) | TDP2KDM1APTGS2NAAAPTGS1 | |
| SCHEMBL17210770 | 0.86 | CTSK (0.39) | TDP2NAAAESR2CYP3A4CYP2C9 | |
| SCHEMBL13112141 | 0.86 | ESR2 (0.40) | TDP2ESR2CYP3A4CYP2C9APP | |
| SCHEMBL16280876 | 0.85 | ESR2 (0.44) | KDM1ACYP17A1ESR2CYP3A4CYP2C9 | |
| SCHEMBL2741559 | 0.85 | ESR2 (0.44) | KDM1ACYP17A1ESR2CYP3A4CYP2C9 | |
| SCHEMBL13112203 | 0.83 | FASN (0.37) | TDP2ESR2CYP3A4CYP2C9APP | |
| SCHEMBL6455561 | 0.83 | KDM1A (0.44) | TDP2KDM1APTGS2NAAAPTGS1 | |
| SCHEMBL6455560 | 0.83 | KDM1A (0.44) | TDP2KDM1APTGS2NAAAPTGS1 | |
| SCHEMBL24661359 | 0.83 | AKR1C3 (0.43) | ESR2CYP3A4CYP2C9APP |
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 |
|---|---|---|---|---|---|---|---|
| US-20110101270-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-05-05 | — | — | US | disclosed |