Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1275145 | 0.88 | SHBG (0.43) | EGFRERBB2CYP2C19DAOCYP1A2 | |
| SCHEMBL8990194 | 0.87 | BCHE (0.47) | EGFRERBB2CYP2C19BCL2BCL2L1 | |
| SCHEMBL10903473 | 0.86 | BCL2 (0.53) | BCL2BCL2L1CYP3A4PTPN1PTPN2 | |
| SCHEMBL1275477 | 0.84 | HSPA5 (0.47) | EGFRERBB2CYP2C19BCL2BCL2L1 | |
| Methyl Alcohol SCHEMBL29261078 | 0.80 | CYP2C19 (0.56) | CYP2C19IDO1NOS3NOS1NOS2 | |
| SCHEMBL14648333 | 0.79 | CYP1A2 (0.59) | EGFRERBB2CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL206 | 0.78 | CYP2C19 (0.56) | CYP2C19IDO1NOS3NOS1NOS2 | |
| SCHEMBL10906361 | 0.77 | PTPN1 (0.47) | BCL2BCL2L1CYP3A4PTPN1PTPN2 | |
| SCHEMBL5209418 | 0.75 | CYP2C19 (0.54) | CYP2C19IDO1NOS3NOS1NOS2 | |
| SCHEMBL7136112 | 0.75 | CYP2C19 (0.54) | CYP2C19IDO1NOS3NOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1146038-B1 | Novel antioxidant and method of producing the same | KUMHO MONSANTO INC (KR) | 2004-06-16 | — | — | EP | disclosed |
| EP-1146038-A1 | Novel antioxidant and method of producing the same | Kumho Monsanto, Inc. (KR) | 2001-10-17 | — | — | EP | disclosed |