Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.47 |
| ▸ | PRNP | P04156 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 4/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 4/20 | 0.42 |
| ▸ | ACHE | P22303 | 4/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27515095 | 0.90 | ALDH1A1 (0.52) | ALDH1A1HTTRXFP1PRNPPPARG | |
| SCHEMBL6823101 | 0.88 | ALDH1A1 (0.55) | ALDH1A1HTTRXFP1PRNPPPARG | |
| SCHEMBL6654938 | 0.88 | ALDH1A1 (0.47) | ALDH1A1HTTRXFP1PRNPPPARG | |
| SCHEMBL7554133 | 0.80 | HSD17B10 (0.60) | ALDH1A1HTTKDM4EGAASMN1; SMN2 | |
| SCHEMBL7648675 | 0.77 | ALDH1A1 (0.56) | ALDH1A1HTTRXFP1PRNPPPARG | |
| SCHEMBL8794351 | 0.75 | DHODH (0.49) | ALDH1A1RXFP1PRNPPPARGNR2E3 | |
| SCHEMBL12575808 | 0.74 | MPO (0.58) | ALDH1A1HTTRXFP1PRNPPPARG | |
| SCHEMBL17594351 | 0.73 | PTGFR (0.53) | ALDH1A1RXFP1PRNPPPARGNR2E3 | |
| SCHEMBL17593675 | 0.71 | PTGFR (0.50) | MEN1KMT2A | |
| SCHEMBL18075773 | 0.70 | PTGFR (0.53) | ALDH1A1RXFP1PRNPPPARGNR2E3 |
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-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 |
| 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 |