Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PER2 | O15055 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.32 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6205359 | 0.98 | HTT (0.36) | ALDH1A1HPGDGAAHTTPER2 | |
| SCHEMBL6205391 | 0.97 | HTT (0.36) | ALDH1A1HPGDGAAHTTPER2 | |
| SCHEMBL6204993 | 0.95 | HTT (0.36) | ALDH1A1HPGDGAAHTTTP53 | |
| SCHEMBL1114602 | 0.77 | CYP3A4 (0.44) | ALDH1A1HPGDGAAHTTSMN1; SMN2 | |
| SCHEMBL6204538 | 0.71 | NOS3 (0.39) | ALDH1A1HTTPER2SMN1; SMN2CYP2C19 | |
| SCHEMBL23907338 | 0.70 | NAAA (0.37) | ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL5638919 | 0.70 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL6045233 | 0.69 | HSD17B10 (0.33) | ALDH1A1HTTCYP3A4 | |
| SCHEMBL4703842 | 0.69 | HSD17B10 (0.36) | ALDH1A1GAAPER2KMT2A | |
| SCHEMBL6045399 | 0.69 | HSD17B10 (0.33) | ALDH1A1HTTCYP3A4 |
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 | claimed |
| WO-2004002960-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-01-08 | — | — | WO | claimed |