Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.65 |
| ▸ | MAOB | P27338 | 2/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | USP7 | Q93009 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL30170547 | 0.82 | ABL1 (0.42) | CYP2A6IDO1BACE1ALDH1A1HPGD | |
| SCHEMBL29453518 | 0.80 | CYP2A6 (0.71) | CYP2A6MAOBUSP7SCN9ATSHR | |
| SCHEMBL6436152 | 0.80 | CYP2A6 (0.90) | CYP2A6MAOBUSP7SCN9ATSHR | |
| SCHEMBL671819 | 0.80 | CYP2A6 (0.71) | CYP2A6MAOBUSP7SCN9ATSHR | |
| SCHEMBL7302636 | 0.80 | ABL1 (0.46) | CYP2A6TSHRLMNABACE1NPC1 | |
| SCHEMBL23628571 | 0.79 | CYP2A6 (1.00) | CYP2A6MAOBTSHRLMNABACE1 | |
| Benzene SCHEMBL28342327 | 0.79 | CYP2A6 (1.00) | CYP2A6MAOBTSHRLMNABACE1 | |
| SCHEMBL170230 | 0.79 | CYP2A6 (1.00) | CYP2A6MAOBTSHRLMNABACE1 | |
| SCHEMBL29355088 | 0.79 | CYP2A6 (1.00) | CYP2A6MAOBTSHRLMNABACE1 | |
| Methane SCHEMBL27895599 | 0.78 | CYP2A6 (0.68) | CYP2A6MAOBUSP7SCN9ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-110007557-B | Curable composition, film, optical film, light-emitting display element panel, and light-emitting display device | 东京应化工业株式会社 | 2024-04-12 | — | — | CN | disclosed |
| US-4248795-A | BY OXIDATION OF THE CORRESPONDING SULFIDE WITH AN AQUEOUS PERACID SOLUTION | UNION CARBIDE CORPORATION (US) | 1981-02-03 | — | — | US | disclosed |