Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | F7 | P08709 | 1/20 | 0.42 |
| ▸ | F3 | P13726 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.38 |
| ▸ | BCKDK | O14874 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11325463 | 0.72 | SMN1; SMN2 (0.63) | ALDH1A1SMN1; SMN2TSHRTP53CASP1 | |
| SCHEMBL19644240 | 0.67 | PTPN1 (0.66) | ALDH1A1SMN1; SMN2TSHRTP53CASP1 | |
| SCHEMBL5759442 | 0.67 | NR4A1 (0.50) | ALDH1A1SMN1; SMN2TSHRCA1CA2 | |
| SCHEMBL31522177 | 0.67 | PTPN1 (0.66) | ALDH1A1SMN1; SMN2TSHRTP53CASP1 | |
| SCHEMBL11433375 | 0.66 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2TSHRTP53CASP1 | |
| SCHEMBL19514758 | 0.65 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2TSHRTP53CASP1 | |
| SCHEMBL1000440 | 0.65 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2TSHRTP53CASP1 | |
| SCHEMBL5762904 | 0.64 | CYP1A2 (0.58) | ALDH1A1SMN1; SMN2TSHRTP53CASP1 | |
| Hydrochloric Acid SCHEMBL10902309 | 0.64 | TSHR (0.68) | ALDH1A1SMN1; SMN2TSHRTP53CASP1 | |
| SCHEMBL224469 | 0.64 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2TSHRTP53CASP1 |
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-1633737-A1 | QUINOLYL AMIDE DERIVATIVES AS CCR-5 ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-03-15 | — | — | EP | disclosed |
| US-20050020605-A1 | Quinolyl amide derivatives as CCR-5 antagonists | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-01-27 | — | — | US | disclosed |
| WO-2004113323-A1 | QUINOLYL AMIDE DERIVATIVES AS CCR-5 ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-12-29 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050020605-A1 | Quinolyl amide derivatives as CCR-5 antagonists | CCRL2, CCR5, CCR1 | ALDH1A1 2065/4885SMN1; SMN2 4482/4885TSHR 1606/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.