Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL708899 | 0.76 | GABBR2 (0.36) | AHRALOX15ALOX12CYP3A4TSHR | |
| SCHEMBL2489432 | 0.71 | AHR (0.38) | AHRALOX15ALOX12 | |
| SCHEMBL30153513 | 0.70 | DRD1 (0.49) | DRD1 | |
| SCHEMBL16146962 | 0.70 | DRD1 (0.49) | DRD1 | |
| SCHEMBL8163979 | 0.69 | PRMT1 (0.50) | ALOX15ALOX12CYP3A4TSHRTDP1 | |
| SCHEMBL2856011 | 0.65 | — | — | |
| SCHEMBL15841475 | 0.65 | AHR (0.54) | AHR | |
| SCHEMBL30153529 | 0.65 | AHR (0.54) | AHR | |
| SCHEMBL3685579 | 0.65 | AHR (0.33) | AHR | |
| SCHEMBL12440926 | 0.64 | PGR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5877030-A | REACTING AMINO ACID MOLECULES WITH REACTIVE XANTHENE DERIVATIVES, COMBINATORIAL LIBRARIES | SILICON VALLEY BANK | 1999-03-02 | — | — | US | disclosed |
| WO-1995019359-A1 | PROCESS FOR MAKING XANTHENE OR CUBANE BASED COMPOUNDS, AND PROTEASE INHIBITORS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1995-07-20 | — | — | WO | disclosed |