Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL8656967 | 0.92 | CYP3A4 (0.37) | CYP3A4CYP2C9APPPDK2 | |
| SCHEMBL8027624 | 0.91 | CYP3A4 (0.37) | CYP3A4CYP2C9APPPDK2 | |
| SCHEMBL8395137 | 0.88 | CYP3A4 (0.33) | CYP3A4CYP2C9APP | |
| SCHEMBL8395134 | 0.88 | CYP3A4 (0.33) | CYP3A4CYP2C9APP | |
| SCHEMBL8026796 | 0.81 | CYP3A4 (0.38) | CYP3A4CYP2C9APPPDK2EPHX2 | |
| SCHEMBL8441428 | 0.79 | CYP3A4 (0.34) | CYP3A4CYP2C9APP | |
| SCHEMBL8441424 | 0.79 | CYP3A4 (0.34) | CYP3A4CYP2C9APP | |
| SCHEMBL8027627 | 0.79 | CYP3A4 (0.38) | CYP3A4CYP2C9APP | |
| SCHEMBL8728406 | 0.78 | CYP3A4 (0.33) | CYP3A4CYP2C9APP | |
| SCHEMBL8728409 | 0.78 | CYP3A4 (0.33) | CYP3A4CYP2C9APP |
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 |
|---|---|---|---|---|---|---|---|
| US-5755995-A | DISAZO DYES, TRISAZO DYES AND ANTHRAQUINONE DYES WITH LIQUID CRYSTAL POLYMERS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |