Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 3/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1588593 | 0.72 | CA12 (0.35) | KDM4EALDH1A1HPGDMAOAMAOB | |
| SCHEMBL4511352 | 0.69 | TSHR (0.42) | CYP2A6ALDH1A1HPGDMAOAMAOB | |
| SCHEMBL31510121 | 0.69 | TSHR (0.58) | CES1CYP2A6KDM4EHPGDNPC1 | |
| SCHEMBL29190731 | 0.69 | TSHR (0.58) | CES1CYP2A6KDM4EHPGDNPC1 | |
| SCHEMBL29836089 | 0.68 | ALDH1A1 (0.47) | CES1CYP2A6KDM4EALDH1A1HPGD | |
| SCHEMBL6238887 | 0.68 | ALDH1A1 (0.47) | CES1CYP2A6KDM4EALDH1A1HPGD | |
| SCHEMBL4488551 | 0.68 | ALDH1A1 (0.50) | CES1CYP2A6KDM4EALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL28694708 | 0.67 | ALDH1A1 (0.46) | CES1CYP2A6KDM4EALDH1A1HPGD | |
| Dihydrocoumarin SCHEMBL29350292 | 0.64 | MAOB (0.50) | CES1CYP2A6KDM4EHPGDNPC1 | |
| Dihydrocoumarin SCHEMBL28795 | 0.64 | MAOB (0.50) | CES1CYP2A6KDM4EHPGDNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5817835-A | COCATALYSTS IN CHLORINATION OF TOLUENE | OCCIDENTAL CHEMICAL CORPORATION (US) | 1998-10-06 | — | — | US | disclosed |
| US-5817835-A | COCATALYSTS IN CHLORINATION OF TOLUENE | OCCIDENTAL CHEMICAL CORPORATION (US) | 1998-10-06 | — | — | US | disclosed |