Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 11/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10982647 | 0.75 | CHRM3 (0.46) | CHRM3CHRM2CHRM1CHRM4MAPT | |
| SCHEMBL6577781 | 0.73 | KEAP1 (0.62) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL4424037 | 0.72 | CHRM2 (0.52) | CHRM3CHRM2CHRM1CYP2D6KCNH2 | |
| SCHEMBL198312 | 0.71 | KEAP1 (0.96) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL2764243 | 0.71 | KEAP1 (0.96) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL1235433 | 0.71 | KEAP1 (0.96) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL8498389 | 0.71 | KEAP1 (0.61) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL198082 | 0.71 | KEAP1 (0.96) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL3909615 | 0.71 | KEAP1 (0.96) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL29903954 | 0.71 | KEAP1 (0.96) | KEAP1NFE2L2CHRM3CHRM2CHRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1173170-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1173170-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000059503-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |