Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAMP1 | O60894 | 3/20 | 0.36 |
| ▸ | CALCRL | Q16602 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6224270 | 0.80 | LMNA (0.42) | HTTRAMP1CALCRLCA2CHKA | |
| SCHEMBL6223722 | 0.79 | RAMP1 (0.47) | RAMP1CALCRLPOLBKDM4EALDH1A1 | |
| SCHEMBL5638966 | 0.79 | ALDH1A1 (0.36) | EPHX2NAMPTKDM4EALDH1A1 | |
| SCHEMBL6230527 | 0.77 | CALCRL (0.57) | HTTRAMP1CALCRL | |
| SCHEMBL16178613 | 0.76 | CHRNB2 (0.39) | CALCRLCYP1A2POLBCHRNB2CHRNA3 | |
| SCHEMBL6224332 | 0.75 | CCR2 (0.56) | ALDH1A1 | |
| SCHEMBL5637448 | 0.72 | ADH1B (0.33) | EPHX2ALDH1A1 | |
| SCHEMBL5637444 | 0.72 | ALDH1A1 (0.33) | EPHX2ALDH1A1 | |
| SCHEMBL8521203 | 0.70 | HTT (0.69) | HTTPOLBCHRNB2CHRNA3CHRNA4 | |
| Acetic Acid SCHEMBL17114099 | 0.70 | HTT (0.64) | HTTPOLBEPHX2KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534681-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004002960-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-01-08 | — | — | WO | disclosed |