Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 6/20 | 0.48 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL25106887 | 0.84 | RAPGEF4 (0.41) | KIF11RAPGEF4NPC1RAB9ATRPV1 | |
| SCHEMBL23933954 | 0.80 | RAPGEF4 (0.58) | RAPGEF4AKR1C3AKR1C2 | |
| SCHEMBL17423676 | 0.74 | RAPGEF4 (0.49) | RAPGEF4TRPV1AKR1C3AKR1C2 | |
| SCHEMBL24477512 | 0.71 | TRPV1 (0.46) | KIF11TRPV1MEN1KMT2A | |
| SCHEMBL24477417 | 0.71 | TRPV1 (0.46) | KIF11TRPV1MEN1KMT2A | |
| SCHEMBL379238 | 0.71 | RAPGEF4 (0.63) | RAPGEF4NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL17427531 | 0.71 | RAPGEF4 (0.51) | RAPGEF4AKR1C3AKR1C2 | |
| SCHEMBL15256134 | 0.71 | RAPGEF4 (0.51) | RAPGEF4AKR1C3AKR1C2 | |
| SCHEMBL23933952 | 0.70 | RAPGEF4 (0.45) | RAPGEF4 | |
| SCHEMBL15256120 | 0.69 | RAPGEF4 (0.50) | RAPGEF4AKR1C3AKR1C2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023023882-A1 | NITROGEN HETEROCYCLIC CARBENE-SQUARIC AMIDE BIFUNCTIONAL CATALYST AND PREPARATION METHOD THEREFOR | 深圳湾实验室坪山生物医药研发转化中心 | 2023-03-02 | — | — | WO | disclosed |