Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 3/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.38 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8670047 | 1.00 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2B6PTGS2PTGS1 | |
| SCHEMBL2682345 | 0.80 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2B6PTGS2PTGS1 | |
| SCHEMBL2681961 | 0.79 | PTGS1 (0.64) | CYP1A2PTGS2PTGS1ALOX5EGFR | |
| SCHEMBL2681962 | 0.79 | PTGS1 (0.64) | CYP1A2PTGS2PTGS1ALOX5EGFR | |
| SCHEMBL8291651 | 0.79 | PTGS1 (0.64) | CYP1A2PTGS2PTGS1ALOX5EGFR | |
| SCHEMBL11129914 | 0.78 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2B6PTGS2PTGS1 | |
| SCHEMBL13178556 | 0.75 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2B6PTGS2PTGS1 | |
| SCHEMBL8779681 | 0.74 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2B6PTGS2PTGS1 | |
| SCHEMBL8779682 | 0.74 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2B6PTGS2PTGS1 | |
| SCHEMBL8779692 | 0.71 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2B6PTGS2PTGS1 |
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-0830133-A1 | THERAPEUTIC COMPOSITION FOR ARTHRITIS | Takeda Chemical Industries, Ltd. (JP) | 1998-03-25 | — | — | EP | disclosed |
| WO-1996033717-A1 | THERAPEUTIC COMPOSITION FOR ARTHRITIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-31 | — | — | WO | disclosed |