Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 18/20 | 0.78 |
| ▸ | AVPR1A | P37288 | 15/20 | 0.78 |
| ▸ | AVPR1B | P47901 | 6/20 | 0.76 |
| ▸ | AVPR2 | P30518 | 6/20 | 0.76 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.76 |
| ▸ | TACR1 | P25103 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | GHSR | Q92847 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21525952 | 1.00 | OXTR (0.78) | OXTRAVPR1AAVPR1BAVPR2KCNH2 | |
| SCHEMBL21525960 | 0.89 | OXTR (0.82) | OXTRAVPR1AAVPR1BAVPR2KCNH2 | |
| SCHEMBL21525959 | 0.89 | OXTR (0.82) | OXTRAVPR1AAVPR1BAVPR2KCNH2 | |
| SCHEMBL30065573 | 0.89 | OXTR (0.82) | OXTRAVPR1AAVPR1BAVPR2KCNH2 | |
| SCHEMBL21525951 | 0.88 | OXTR (1.00) | OXTRAVPR1AAVPR1BAVPR2KCNH2 | |
| SCHEMBL30065741 | 0.88 | OXTR (1.00) | OXTRAVPR1AAVPR1BAVPR2KCNH2 | |
| SCHEMBL30065787 | 0.87 | OXTR (1.00) | OXTRAVPR1AAVPR1BAVPR2KCNH2 | |
| SCHEMBL20345625 | 0.87 | OXTR (1.00) | OXTRAVPR1AAVPR1BAVPR2KCNH2 | |
| SCHEMBL20345732 | 0.86 | OXTR (1.00) | OXTRAVPR1AAVPR1BAVPR2KCNH2 | |
| SCHEMBL20345677 | 0.86 | OXTR (1.00) | OXTRAVPR1AAVPR1BAVPR2KCNH2 |
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-113149961-B | Azabicyclo-substituted triazole derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-11-22 | — | — | CN | disclosed |