Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.69 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL6476504 | 0.88 | ACHE (0.69) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL28081861 | 0.87 | ACHE (0.92) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL28313435 | 0.87 | — | — | |
| Toluene SCHEMBL4386213 | 0.87 | ACHE (0.92) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL282478 | 0.87 | — | — | |
| Toluene SCHEMBL27965308 | 0.87 | ACHE (0.92) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL6746582 | 0.87 | ACHE (0.92) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL11878868 | 0.87 | — | — | |
| Toluene SCHEMBL28249699 | 0.87 | ACHE (0.92) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL14954115 | 0.83 | ACHE (0.85) | ACHELMNATSHRALOX12HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-109942459-B | Method for synthesizing 3-difluoromethyl-3-acrylonitrile compounds | 南京理工大学 | 2022-06-24 | — | — | CN | disclosed |