Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 2/20 | 0.38 |
| ▸ | CHRNE | Q04844 | 1/20 | 0.37 |
| ▸ | GUSB | P08236 | 3/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28464316 | 0.84 | GUSB (0.39) | PDE5ACHRNEGUSBABCB1ABCG2 | |
| SCHEMBL28899922 | 0.74 | GUSB (0.39) | GUSBABCB1ABCG2HRH4 | |
| SCHEMBL30148066 | 0.73 | HDAC6 (0.37) | PDE5AGUSBACHE | |
| SCHEMBL28464318 | 0.73 | HDAC6 (0.37) | PDE5AGUSBACHE | |
| SCHEMBL30148104 | 0.68 | ABCB1 (0.50) | PDE5AABCB1ABCG2 | |
| SCHEMBL13877241 | 0.67 | SLC6A4 (0.47) | PDE5ADHFRABCB1ABCG2 | |
| SCHEMBL14627593 | 0.63 | SLC6A4 (0.48) | DHFRABCB1ABCG2 | |
| SCHEMBL20635520 | 0.62 | HDAC6 (0.47) | — | |
| SCHEMBL28470335 | 0.62 | ABCB1 (0.43) | PDE5AABCB1ABCG2ACHE | |
| SCHEMBL28474518 | 0.60 | CHRM2 (0.46) | — |
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-111675725-B | Tetrahydro-beta-carbaline dimer and preparation method and application thereof | 中国药科大学 | 2023-01-24 | — | — | CN | disclosed |