Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 7/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19283487 | 0.84 | CYP2C19 (0.47) | CYP2C19CYP1A2HIF1ACES2MAPT | |
| SCHEMBL2295046 | 0.81 | CYP2C19 (0.64) | KCNN4CYP2C19CYP1A2HIF1AKIF11 | |
| SCHEMBL2300536 | 0.81 | CYP2C19 (0.64) | KCNN4CYP2C19CYP1A2HIF1AKIF11 | |
| SCHEMBL167044 | 0.81 | CYP2C19 (0.64) | KCNN4CYP2C19CYP1A2HIF1AKIF11 | |
| SCHEMBL17047153 | 0.81 | CYP2C19 (0.47) | CYP2C19CYP1A2HIF1AKIF11PARP1 | |
| SCHEMBL21981930 | 0.81 | CYP2C19 (0.47) | CYP2C19CYP1A2HIF1AKIF11PARP1 | |
| SCHEMBL21981929 | 0.81 | CYP2C19 (0.47) | CYP2C19CYP1A2HIF1AKIF11PARP1 | |
| SCHEMBL17047155 | 0.81 | CYP2C19 (0.47) | CYP2C19CYP1A2HIF1AKIF11PARP1 | |
| Hydrochloric Acid SCHEMBL5860902 | 0.79 | CYP2C19 (0.62) | KCNN4CYP2C19CYP1A2HIF1AKIF11 | |
| SCHEMBL27598803 | 0.79 | KCNN4 (0.43) | KCNN4CYP2C19CYP1A2HIF1AKIF11 |
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-7217714-B1 | CCR5 modulators | AGOURON PHARMACEUTICALS, INC. (US) | 2007-05-15 | — | — | US | disclosed |