Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 9/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28759124 | 0.85 | HTT (0.50) | PKMSMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL27672077 | 0.83 | HTT (0.49) | PKMSMN1; SMN2CTSSHTTNPC1 | |
| SCHEMBL27672087 | 0.78 | FKBP1A (0.50) | SMN1; SMN2CTSSMEN1KMT2A | |
| SCHEMBL27672023 | 0.76 | CTSS (0.41) | PKMSMN1; SMN2CTSSHTTNPC1 | |
| SCHEMBL27672021 | 0.75 | CTSS (0.43) | PKMSMN1; SMN2CTSSHTTNPC1 | |
| SCHEMBL22135134 | 0.73 | HTT (0.67) | PKMSMN1; SMN2CTSSHTTNPC1 | |
| SCHEMBL13223712 | 0.72 | HTT (0.65) | PKMSMN1; SMN2CTSSHTTMEN1 | |
| SCHEMBL27651812 | 0.69 | FKBP1A (0.46) | SMN1; SMN2CTSSMEN1KMT2A | |
| SCHEMBL2736106 | 0.69 | HTT (0.61) | PKMSMN1; SMN2CTSSHTTNPC1 | |
| SCHEMBL27672043 | 0.69 | HTT (0.47) | PKMSMN1; SMN2CTSSHTTMEN1 |
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-100543017-C | Keto-oxadiazole derivatives as cathepsin inhibitors | AVENTIS PHARMA INC (US) | 2009-09-23 | — | — | CN | disclosed |
| CN-1898219-A | Novel keto-oxadiazole derivatives as cathepsin inhibitors | AVENTIS PHARMA INC (US) | 2007-01-17 | — | — | CN | disclosed |