Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.36 |
| ▸ | GHSR | Q92847 | 2/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.34 |
| ▸ | MASP2 | O00187 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7930087 | 1.00 | CTSC (0.37) | CTSCHTR2AHDAC3HDAC4HDAC1 | |
| SCHEMBL7930090 | 1.00 | CTSC (0.37) | CTSCHTR2AHDAC3HDAC4HDAC1 | |
| SCHEMBL7930095 | 1.00 | CTSC (0.37) | CTSCHTR2AHDAC3HDAC4HDAC1 | |
| SCHEMBL7819028 | 0.77 | GHSR (0.36) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7823165 | 0.77 | MAPT (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6982254 | 0.73 | HDAC3 (0.37) | CTSCHTR2AHDAC3HDAC4HDAC1 | |
| SCHEMBL6984118 | 0.71 | ADAM17 (0.45) | CTSCHTR2APSMB5MMP1MMP2 | |
| SCHEMBL7931077 | 0.69 | ADAM17 (0.34) | CTSCHTR2AMASP2 | |
| SCHEMBL6984117 | 0.68 | ACE (0.38) | ACEMMP1MMP2MMP3 | |
| SCHEMBL6982257 | 0.67 | ADAM17 (0.45) | CTSCHTR2APSMB5MMP1MMP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6239151-B1 | TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, | HOFFMANN-LA ROCHE INC. | 2001-05-29 | — | — | US | disclosed |