Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.42 |
| ▸ | PRNP | P04156 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.42 |
| ▸ | PTGFR | P43088 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CD38 | P28907 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6653554 | 0.88 | ALDH1A1 (0.49) | ALDH1A1HTTTP53HSD17B10RXFP1 | |
| SCHEMBL6650864 | 0.82 | TP53 (0.51) | ALDH1A1HTTTP53HSD17B10RXFP1 | |
| SCHEMBL7649838 | 0.82 | APP (0.54) | ALDH1A1HTTTP53HSD17B10RXFP1 | |
| SCHEMBL6657077 | 0.81 | TP53 (0.45) | ALDH1A1HTTTP53HSD17B10KMT2A | |
| SCHEMBL9821131 | 0.78 | KMT2A (0.59) | ALDH1A1HTTTP53HSD17B10KMT2A | |
| SCHEMBL9821276 | 0.78 | MEN1 (0.54) | ALDH1A1HTTTP53HSD17B10RXFP1 | |
| Hydrochloric Acid SCHEMBL9821072 | 0.77 | KMT2A (0.57) | ALDH1A1HTTTP53HSD17B10KMT2A | |
| SCHEMBL7647477 | 0.75 | TP53 (0.45) | ALDH1A1HTTTP53HSD17B10KMT2A | |
| SCHEMBL7653573 | 0.74 | APP (0.52) | ALDH1A1HTTTP53HSD17B10RXFP1 | |
| SCHEMBL9821213 | 0.73 | HTT (0.52) | ALDH1A1HTTTP53HSD17B10KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218401-B1 | 4-BENZYLAMINOQUINOLINE CONJUGATES WITH BILE ACID AND THEIR HETEROANALOGUES, METHODS FOR PRODUCING THE SAME, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THEIR USE | AVENTIS PHARMA GMBH (DE) | 2004-06-16 | — | — | EP | disclosed |
| EP-1218401-A1 | 4-BENZYLAMINOQUINOLINE CONJUGATES WITH BILE ACID AND THEIR HETEROANALOGUES, METHODS FOR PRODUCING THE SAME, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THEIR USE | Aventis Pharma Deutschland GmbH (DE) | 2002-07-03 | — | — | EP | disclosed |
| US-6339077-B1 | FOR PROPHYLAXIS OR OF GALLSTONES | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-01-15 | — | — | US | disclosed |
| WO-2001021642-A1 | 4-BENZYLAMINOQUINOLINE CONJUGATES WITH BILE ACID AND THEIR HETEROANALOGUES, METHODS FOR PRODUCING THE SAME, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THEIR USE | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2001-03-29 | — | — | WO | disclosed |