Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27484194 | 0.89 | MEN1 (0.50) | CYP3A4ALDH1A1TDP1TSHRHTT | |
| SCHEMBL10364318 | 0.85 | NPC1 (0.59) | CYP3A4ALDH1A1TDP1TSHRMEN1 | |
| SCHEMBL5628051 | 0.83 | ALDH1A1 (0.56) | CYP3A4ALDH1A1TDP1TSHRHTT | |
| SCHEMBL8034454 | 0.82 | TDP1 (0.53) | CYP3A4ALDH1A1TDP1TSHRHTT | |
| SCHEMBL1875080 | 0.82 | ALDH1A1 (0.53) | CYP3A4ALDH1A1TDP1TSHRHTT | |
| SCHEMBL15822385 | 0.81 | ALDH1A1 (0.46) | CYP3A4ALDH1A1TDP1HTTGAA | |
| SCHEMBL1945443 | 0.78 | ALDH1A1 (0.46) | CYP3A4ALDH1A1TDP1TSHRHTT | |
| SCHEMBL4195883 | 0.78 | ALDH1A1 (0.46) | CYP3A4ALDH1A1TDP1TSHRHTT | |
| SCHEMBL29278892 | 0.78 | MEN1 (0.42) | CYP3A4ALDH1A1TSHRHTTGAA | |
| SCHEMBL13613681 | 0.78 | GAA (0.42) | CYP3A4ALDH1A1TDP1HTTGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0466944-A1 | 4H-3,1-BENZOXAZIN-4-ONE COMPOUND AND ELASTASE INHIBITOR COMPOSITION CONTAINING THE SAME | TEIJIN LIMITED (JP) | 1992-01-22 | — | — | EP | disclosed |