Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27468872 | 0.79 | SIGMAR1 (0.57) | SIGMAR1 | |
| SCHEMBL28042699 | 0.67 | BACE1 (0.50) | SIGMAR1MAPTKDM4EHPGD | |
| SCHEMBL4265742 | 0.66 | ALPL (0.44) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL120088 | 0.65 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL30473120 | 0.65 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL29419014 | 0.65 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL4264992 | 0.64 | ALPL (0.40) | CYP2A6CYP3A4ALDH1A1CYP1A2MAPT | |
| SCHEMBL8587648 | 0.63 | CYP3A4 (0.57) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| Hydrochloric Acid SCHEMBL634020 | 0.63 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2MAPT | |
| Hydrochloric Acid SCHEMBL4831090 | 0.63 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 |
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-1109799-A1 | 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS | PACIFIC CORPORATION (KR) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000061571-A1 | 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS | PACIFIC CORPORATION (KR) | 2000-10-19 | — | — | WO | disclosed |