Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | FPR3 | P25089 | 1/20 | 0.31 |
| ▸ | FPR2 | P25090 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10260946 | 0.83 | HDAC6 (0.40) | HDAC6CA14HDAC1HDAC2PDK2 | |
| SCHEMBL1926860 | 0.83 | CASP1 (0.45) | HDAC6CA14HDAC1HDAC2CTSD | |
| SCHEMBL21069899 | 0.83 | HDAC6 (0.33) | HDAC6CA14HDAC1HDAC2PDK2 | |
| SCHEMBL4669410 | 0.80 | HDAC6 (0.36) | HDAC6CA14HDAC1HDAC2PDK2 | |
| SCHEMBL22748848 | 0.79 | GBA1 (0.34) | HDAC6CA14HDAC1HDAC2PDK2 | |
| SCHEMBL98924 | 0.78 | CHRNB2 (0.44) | HDAC6CA14HDAC1HDAC2PDK2 | |
| SCHEMBL19699862 | 0.78 | CHRM2 (0.39) | HDAC6CA14HDAC1HDAC2PDK2 | |
| SCHEMBL7905771 | 0.78 | CA14 (0.44) | HDAC6CA14HDAC1HDAC2PDK2 | |
| SCHEMBL1712653 | 0.78 | HDAC6 (0.37) | HDAC6CA14HDAC1HDAC2PDK2 | |
| SCHEMBL30021154 | 0.77 | HDAC6 (0.34) | HDAC6CA14HDAC1HDAC2PDK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010082050-A1 | MACROCYCLIC AND 7-AMINOALKYL-SUBSTITUTED BENZOXAZOCINES FOR TREATMENT OF HEPATITIS C INFECTIONS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2010-07-22 | — | — | WO | disclosed |
| CN-1026892-C | New amino acid derivatives, process for preparation thereof and pharmaceutical composition comprising same | FUJISAWA PHARMACEUTICAL CO (JP) | 1994-12-07 | — | — | CN | disclosed |
| CN-1030411-A | New amino acid derivatives, its preparation method and contain its pharmaceutical composition | FUJISAWA PHARMACEUTICAL CO (JP) | 1989-01-18 | — | — | CN | disclosed |