Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 9/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | S100A4 | P26447 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6339877 | 0.87 | COMT (0.47) | COMTTP53ESR1ESR2S100A4 | |
| SCHEMBL6345977 | 0.72 | COMT (0.47) | COMTESR1ESR2S100A4MCL1 | |
| SCHEMBL6339922 | 0.72 | COMT (0.42) | COMTESR1ESR2S100A4 | |
| SCHEMBL6339917 | 0.71 | S100A4 (0.58) | COMTTP53TSHRESR1ESR2 | |
| SCHEMBL6345493 | 0.68 | COMT (0.48) | COMTTP53TSHRESR1ESR2 | |
| SCHEMBL11663385 | 0.68 | TSHR (0.54) | TP53TSHR | |
| SCHEMBL6349986 | 0.68 | CYP3A4 (0.67) | COMTTSHRESR1ESR2S100A4 | |
| SCHEMBL19938077 | 0.68 | TSHR (0.54) | TP53TSHR | |
| SCHEMBL6018044 | 0.67 | TSHR (0.49) | TP53TSHRALOX15 | |
| SCHEMBL17693594 | 0.67 | ESR1 (0.53) | TP53TSHRESR1ESR2ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1317411-A1 | DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY | ORION CORPORATION (FI) | 2003-06-11 | — | — | EP | disclosed |
| WO-2002022551-A1 | DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY | ORION CORPORATION (FI) | 2002-03-21 | — | — | WO | disclosed |