Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | BACH1 | O14867 | 1/20 | 0.42 |
| ▸ | MAFK | O60675 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3083780 | 0.95 | CYP1A2 (0.50) | CYP1A2NAAAKEAP1NFE2L2MIF | |
| SCHEMBL1457047 | 0.87 | CYP1A2 (0.44) | CYP1A2NAAAKEAP1NFE2L2ALDH1A1 | |
| SCHEMBL1201485 | 0.82 | CYP1A2 (0.48) | CYP1A2PRSS1PRSS2PRSS3ALDH1A1 | |
| SCHEMBL11455382 | 0.82 | CYP1A2 (0.48) | CYP1A2PRSS1PRSS2PRSS3ALDH1A1 | |
| SCHEMBL11260906 | 0.82 | CYP1A2 (0.48) | CYP1A2PRSS1PRSS2PRSS3ALDH1A1 | |
| SCHEMBL17519951 | 0.81 | TSHR (0.52) | NAAAKEAP1NFE2L2MIFALDH1A1 | |
| SCHEMBL11177812 | 0.80 | TSHR (0.50) | NAAAKEAP1NFE2L2MIFALDH1A1 | |
| SCHEMBL13123489 | 0.80 | TSHR (0.50) | NAAAKEAP1NFE2L2MIFALDH1A1 | |
| SCHEMBL2824773 | 0.80 | TSHR (0.50) | NAAAKEAP1NFE2L2MIFALDH1A1 | |
| Bromide SCHEMBL18889105 | 0.79 | CYP1A2 (0.36) | CYP1A2NAAAKEAP1NFE2L2MIF |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992013530-A1 | TRANSGLUTAMINASE ENZYME INHIBITORS | MEDICIS CORPORATION (US) | 1992-08-20 | — | — | WO | disclosed |