Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CPA1 | P15085 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4308166 | 0.95 | ALDH1A1 (0.61) | ALDH1A1CYP3A4NPSR1CPA1NPC1 | |
| SCHEMBL4308169 | 0.95 | ALDH1A1 (0.61) | ALDH1A1CYP3A4NPSR1CPA1NPC1 | |
| SCHEMBL4302729 | 0.84 | ALDH1A1 (0.65) | ALDH1A1CYP3A4NPSR1CPA1NPC1 | |
| SCHEMBL6227187 | 0.82 | ALDH1A1 (0.62) | ALDH1A1CYP3A4NPSR1CPA1NPC1 | |
| SCHEMBL4305768 | 0.81 | ALDH1A1 (0.61) | ALDH1A1CYP3A4NPSR1CPA1NPC1 | |
| SCHEMBL4305771 | 0.81 | ALDH1A1 (0.61) | ALDH1A1CYP3A4NPSR1CPA1NPC1 | |
| SCHEMBL4303889 | 0.74 | ALDH1A1 (0.54) | ALDH1A1CYP3A4NPSR1 | |
| SCHEMBL4303884 | 0.74 | ALDH1A1 (0.54) | ALDH1A1CYP3A4NPSR1 | |
| SCHEMBL19078330 | 0.73 | ALDH1A1 (0.55) | ALDH1A1CYP3A4NPSR1KMT2A | |
| SCHEMBL18632082 | 0.72 | ALDH1A1 (0.51) | ALDH1A1CYP3A4NPSR1KMT2A |
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-1839116-B | Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst | SUMITOMO CHEMICAL CO | 2010-05-26 | — | — | CN | disclosed |
| CN-1839116-A | Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst | SUMITOMO CHEMICAL CO (JP) | 2006-09-27 | — | — | CN | disclosed |