Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL5825879 | 0.71 | CYP3A4 (0.40) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL4971535 | 0.69 | — | — | |
| SCHEMBL5781083 | 0.69 | — | — | |
| SCHEMBL3044779 | 0.69 | — | — | |
| SCHEMBL6871094 | 0.69 | CTNNB1 (0.32) | — | |
| SCHEMBL1897709 | 0.67 | CYP3A4 (0.35) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL1493080 | 0.65 | CYP3A4 (0.54) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL16413176 | 0.65 | PTPN2 (0.41) | CYP3A4ALDH1A1HPGD | |
| SCHEMBL29648814 | 0.64 | CYP3A4 (0.47) | CYP3A4TRPA1ALDH1A1TDP1 | |
| SCHEMBL75112 | 0.64 | CYP3A4 (0.47) | CYP3A4TRPA1ALDH1A1TDP1 |
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-5530135-A | REACTING ISOCYANATE COMPOUND WITH SODIUM AZIDE IN PRESENCE OF ALUMINUM CHLORIDE, FOLLOWED BY ADDITION OF WATER AND MINERAL ACID | NIHON BAYER AGROCHEM K.K. (JP) | 1996-06-25 | — | — | US | disclosed |