Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 9/20 | 0.58 |
| ▸ | RAB9A | P51151 | 8/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.58 |
| ▸ | PKM | P14618 | 4/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | SCD | O00767 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2379989 | 0.83 | CYP3A4 (0.71) | CYP3A4LMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL707871 | 0.83 | CYP3A4 (0.71) | CYP3A4LMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29776932 | 0.83 | CYP3A4 (1.00) | CYP3A4LMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL707208 | 0.83 | CYP3A4 (1.00) | CYP3A4LMNANPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7080808 | 0.81 | CYP3A4 (0.69) | CYP3A4LMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23566380 | 0.79 | NPC1 (0.75) | CYP3A4LMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL19820720 | 0.79 | LMNA (0.65) | CYP3A4LMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL204726 | 0.77 | NPC1 (0.73) | CYP3A4LMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9154906 | 0.77 | CYP3A4 (0.71) | CYP3A4LMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12020635 | 0.76 | LMNA (0.71) | CYP3A4LMNANPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114685495-B | N-difluoromethyl diazacyclo selenourea compound with insecticidal, bacteriostatic, herbicidal and anticancer effects and preparation and application thereof | 华南农业大学 | 2023-08-04 | — | — | CN | disclosed |
| CN-114685495-A | N-difluoromethyl dinitrogen heterocyclic selenourea compounds with insecticidal, antibacterial, herbicidal and anticancer effects, and preparation and application thereof | 华南农业大学 | 2022-07-01 | — | — | CN | disclosed |