Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 2/20 | 0.35 |
| ▸ | CCR5 | P51681 | 2/20 | 0.35 |
| ▸ | CCR8 | P51685 | 2/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
| ▸ | PSMB5 | P28074 | 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 | |
|---|---|---|---|---|
| SCHEMBL14315734 | 0.81 | CYP1A2 (0.54) | CYP1A2CCR1CCR5CCR8NOS3 | |
| SCHEMBL21451245 | 0.77 | CCR9 (0.40) | ALDH1A1POLBMEN1KMT2A | |
| SCHEMBL12416706 | 0.76 | ALDH1A1 (0.47) | CYP1A2TSHRCCR1CCR5CCR8 | |
| SCHEMBL14378414 | 0.76 | CYP1A2 (0.53) | CYP1A2TSHRCCR1CCR5CCR8 | |
| SCHEMBL22778437 | 0.75 | DGAT1 (0.39) | — | |
| SCHEMBL21672121 | 0.74 | — | — | |
| SCHEMBL10243492 | 0.74 | OGA (0.41) | ALDH1A1MEN1KMT2A | |
| SCHEMBL29324824 | 0.74 | PSMB5 (0.35) | PSMB5 | |
| SCHEMBL23479219 | 0.72 | ALDH1A1 (0.47) | CYP1A2TSHRCCR1CCR5CCR8 | |
| SCHEMBL19008535 | 0.72 | CYP1A2 (0.53) | CYP1A2TSHRCCR1CCR5CCR8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3247702-B1 | PESTICIDALLY ACTIVE SEMI-CARBAZONES AND THIOSEMICARBAZONES DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2020-04-22 | — | — | EP | disclosed |