Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL9790658 | 0.98 | ALDH1A1 (0.38) | ALDH1A1CYP2D6TDP1NOS3NOS1 | |
| SCHEMBL21712508 | 0.95 | ALDH1A1 (0.36) | ALDH1A1CYP2D6TDP1NOS3NOS1 | |
| SCHEMBL28579901 | 0.93 | ALDH1A1 (0.35) | ALDH1A1CYP2D6TDP1NOS3NOS1 | |
| SCHEMBL22182883 | 0.81 | — | — | |
| SCHEMBL9870541 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CYP2D6TDP1NOS3NOS1 | |
| SCHEMBL29243538 | 0.79 | CA12 (0.47) | ALDH1A1CYP2D6TDP1NOS3NOS1 | |
| SCHEMBL6053634 | 0.76 | CA12 (0.43) | ALDH1A1CYP2D6NOS3NOS1NOS2 | |
| SCHEMBL29196535 | 0.76 | CA12 (0.43) | ALDH1A1CYP2D6TDP1NOS3NOS1 | |
| SCHEMBL5230655 | 0.75 | ALDH1A1 (0.37) | ALDH1A1CYP2D6TDP1HPGDCA12 | |
| SCHEMBL30017898 | 0.75 | HPGD (0.36) | ALDH1A1CYP2D6TDP1HPGDCA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-4324799-A | Fungicidal thioglycolic acid anilides, processes for their manufacture and pesticidal compositions containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-04-13 | — | — | US | disclosed |