Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.72 |
| ▸ | CCR5 | P51681 | 10/20 | 0.72 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.65 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.62 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.62 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.56 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.56 |
| ▸ | FAAH | O00519 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6703964 | 0.86 | KCNH2 (0.79) | KCNH2CCR5SIGMAR1CHRM2CHRM3 | |
| SCHEMBL19658476 | 0.83 | CHRM2 (0.57) | KCNH2CCR5SIGMAR1CHRM2CHRM3 | |
| SCHEMBL4220408 | 0.83 | OPRM1 (0.63) | KCNH2CCR5SIGMAR1CHRM2CHRM3 | |
| SCHEMBL2405257 | 0.83 | CCR5 (0.62) | CCR5SIGMAR1 | |
| Hydrochloric Acid SCHEMBL4920052 | 0.82 | OPRM1 (0.62) | KCNH2CCR5SIGMAR1CHRM2CHRM3 | |
| Oxalic Acid SCHEMBL4217435 | 0.81 | OPRM1 (0.61) | KCNH2CCR5SIGMAR1CHRM2CHRM3 | |
| SCHEMBL339984 | 0.81 | SIGMAR1 (0.58) | KCNH2CCR5SIGMAR1CHRM2CHRM3 | |
| SCHEMBL339985 | 0.81 | SIGMAR1 (0.58) | KCNH2CCR5SIGMAR1CHRM2CHRM3 | |
| SCHEMBL13478882 | 0.80 | KCNH2 (0.67) | KCNH2CCR5SIGMAR1CHRM2CHRM3 | |
| SCHEMBL5116528 | 0.80 | KCNH2 (0.67) | KCNH2CCR5SIGMAR1CHRM2CHRM3 |
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-7041667-B1 | CCR5 modulators | PFIZER, INC. (US) | 2006-05-09 | — | — | US | disclosed |