Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA7 | P43166 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | S100A4 | P26447 | 1/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
| ▸ | RAF1 | P04049 | 1/20 | 0.30 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30016449 | 1.00 | CA1 (0.37) | CA1CA2CA7CA9AKR1B1 | |
| SCHEMBL28645085 | 0.80 | RAF1 (0.32) | RAF1 | |
| SCHEMBL28634036 | 0.80 | RAF1 (0.34) | RAF1 | |
| SCHEMBL30016918 | 0.80 | RAF1 (0.34) | RAF1 | |
| SCHEMBL5416950 | 0.74 | AKR1B1 (0.39) | AKR1B1MAPTS100A4TRPV1GPR35 | |
| SCHEMBL31009467 | 0.74 | AKR1B1 (0.39) | AKR1B1MAPTS100A4TRPV1GPR35 | |
| SCHEMBL28626070 | 0.72 | RAF1 (0.44) | RAF1 | |
| SCHEMBL30016595 | 0.72 | RAF1 (0.44) | RAF1 | |
| SCHEMBL19029942 | 0.66 | MAPT (0.40) | CA1CA2CA7CA9AKR1B1 | |
| SCHEMBL1119381 | 0.66 | CYP11B1 (0.54) | AKR1B1MAPTS100A4TRPV1GPR35 |
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-113264945-A | Spiro derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2021-08-17 | — | — | CN | disclosed |