Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL577035 | 0.84 | CA2 (0.62) | CA2CYP1A2CYP2D6CYP2C19SIGMAR1 | |
| SCHEMBL4519706 | 0.84 | ADRB2 (0.44) | CA2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7455663 | 0.83 | CA2 (0.54) | CA2CYP1A2CYP2D6CYP2C19SIGMAR1 | |
| SCHEMBL66826 | 0.80 | SIGMAR1 (0.54) | SIGMAR1HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL4514440 | 0.80 | ADRB2 (0.41) | CA2CYP1A2CYP2D6CYP2C19MAPK1 | |
| SCHEMBL10640608 | 0.79 | CYP2C19 (0.55) | CYP1A2CYP2D6CYP2C19SMN1; SMN2MAPT | |
| SCHEMBL96648 | 0.78 | SIGMAR1 (0.54) | SIGMAR1HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL11057347 | 0.78 | SIGMAR1 (0.52) | SIGMAR1HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL11050330 | 0.78 | SIGMAR1 (0.52) | SIGMAR1HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL11050654 | 0.78 | SIGMAR1 (0.52) | SIGMAR1HDAC3MAPK1ADRA1AHDAC4 |
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-5866684-A | Peptidyl inhibitors of viral proteases | HOFFMANN-LA ROCHE INC. (US) | 1999-02-02 | — | — | US | disclosed |