Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL10325100 | 0.88 | ESR1 (0.52) | ESR1PTGS2MAPTMEN1KMT2A | |
| SCHEMBL2964613 | 0.87 | CES2 (0.47) | ESR1PTGS2CYP1B1MAPTMEN1 | |
| SCHEMBL10325004 | 0.86 | PTGS2 (0.50) | ESR1PTGS2MAPTESR2KDM4E | |
| SCHEMBL10325003 | 0.86 | PTGS2 (0.50) | ESR1PTGS2MAPTESR2KDM4E | |
| SCHEMBL7908087 | 0.85 | ESR1 (0.47) | ESR1PTGS2CYP1B1MAPTESR2 | |
| SCHEMBL10324644 | 0.81 | ALDH1A1 (0.46) | ESR1PTGS2MAPTMEN1KMT2A | |
| SCHEMBL10324310 | 0.81 | PTGS2 (0.57) | ESR1PTGS2MAPTMEN1KMT2A | |
| SCHEMBL10325046 | 0.81 | PTGS2 (0.57) | ESR1PTGS2MAPTMEN1KMT2A | |
| Anthracene SCHEMBL5666379 | 0.78 | CYP19A1 (0.53) | ESR1PTGS2MAPTMEN1KMT2A | |
| SCHEMBL19639003 | 0.77 | CYP19A1 (0.42) | ESR1PTGS2ESR2CYP19A1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012096538-A2 | TIN-CENTERED DENDRIMER COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME | 중앙대학교 산학협력단 (KR) | 2012-07-19 | — | — | WO | disclosed |