Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | FURIN | P09958 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ACACA | Q13085 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11785119 | 0.87 | CYP3A4 (0.42) | CYP3A4TRPA1ALDH1A1TDP1HPGD | |
| SCHEMBL8567728 | 0.83 | CYP3A4 (0.49) | CYP3A4TRPA1ALDH1A1TDP1HPGD | |
| SCHEMBL10341851 | 0.83 | CYP3A4 (0.49) | CYP3A4TRPA1ALDH1A1TDP1HPGD | |
| SCHEMBL10341870 | 0.82 | CYP3A4 (0.47) | CYP3A4TRPA1ALDH1A1TDP1HPGD | |
| SCHEMBL77895 | 0.81 | CYP3A4 (0.71) | CYP3A4TRPA1ALDH1A1TDP1HPGD | |
| SCHEMBL29373346 | 0.81 | CYP3A4 (0.71) | CYP3A4TRPA1ALDH1A1TDP1HPGD | |
| SCHEMBL50333 | 0.80 | CYP3A4 (0.54) | CYP3A4TRPA1ALDH1A1TDP1HPGD | |
| SCHEMBL4551613 | 0.80 | CYP3A4 (0.54) | CYP3A4TRPA1ALDH1A1TDP1HPGD | |
| SCHEMBL4544188 | 0.80 | CYP3A4 (0.54) | CYP3A4TRPA1ALDH1A1TDP1HPGD | |
| SCHEMBL10536307 | 0.80 | TRPA1 (0.45) | CYP3A4TRPA1ALDH1A1HPGDKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| JP-5339226-A | — | — | None | — | — | JP | disclosed |
| JP-H05339226-A | NOVEL DIPHENYL ETHER-BASED DIISOCYANATE | MITSUI TOATSU CHEM INC | 1993-12-21 | — | — | JP | disclosed |