Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.47 |
| ▸ | CCR5 | P51681 | 2/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.44 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.44 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4896796 | 0.82 | MEN1 (0.54) | CCR5HTR6CYP1A2CYP3A4MEN1 | |
| SCHEMBL4896785 | 0.82 | MEN1 (0.54) | CCR5HTR6CYP1A2CYP3A4MEN1 | |
| SCHEMBL18741418 | 0.77 | ROCK2 (0.67) | ROCK2ROCK1CCR2 | |
| SCHEMBL18741420 | 0.77 | ROCK2 (0.67) | ROCK2ROCK1CCR2 | |
| SCHEMBL8844231 | 0.76 | TRPV6 (0.57) | CCR5CXCR4TRPV6CYP1A2CYP3A4 | |
| SCHEMBL8844573 | 0.76 | TP53 (0.59) | ROCK2CCR5TRPV6MEN1KMT2A | |
| SCHEMBL6045689 | 0.75 | MEN1 (0.62) | CXCR4MEN1KMT2AACHEBCHE | |
| SCHEMBL6350082 | 0.75 | PDCD1LG2 (0.53) | ROCK2CCR5CXCR4USP30CYP1A2 | |
| SCHEMBL14724848 | 0.74 | OPRM1 (0.53) | CCR5HTR6MEN1KMT2AACHE | |
| SCHEMBL29832299 | 0.74 | TRPV6 (0.64) | CCR5CXCR4TRPV6CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108349940-B | Bruton's tyrosine kinase inhibitors | 淄博百极常生制药有限公司 | 2021-08-13 | — | — | CN | disclosed |