Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 6/20 | 0.57 |
| ▸ | CES1 | P23141 | 6/20 | 0.57 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.43 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5255903 | 0.88 | CES2 (0.44) | CES2CES1ITGB1ITGA5TDP1 | |
| SCHEMBL5277970 | 0.80 | ITGB1 (0.40) | CES2CES1ITGB1ITGA5CYP4F2 | |
| SCHEMBL382348 | 0.79 | CES2 (0.61) | CES2CES1ALDH1A1TSHRHSD17B10 | |
| SCHEMBL671906 | 0.79 | CES2 (0.67) | CES2CES1BCHEALDH1A1KMT2A | |
| SCHEMBL30954397 | 0.79 | CES2 (0.67) | CES2CES1BCHEALDH1A1KMT2A | |
| SCHEMBL29775631 | 0.79 | CES2 (0.67) | CES2CES1BCHEALDH1A1KMT2A | |
| SCHEMBL1345183 | 0.79 | CES2 (0.67) | CES2CES1BCHEALDH1A1KMT2A | |
| SCHEMBL28499259 | 0.77 | CES2 (0.48) | CES2CES1ALDH1A1 | |
| SCHEMBL5800869 | 0.76 | CES2 (0.54) | CES2CES1ITGB1ITGA5ALDH1A1 | |
| SCHEMBL28637523 | 0.76 | CES2 (0.52) | CES2CES1BCHEALDH1A1TSHR |
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-1313708-A1 | QUINOLINE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF | CHIRON CORPORATION (US) | 2003-05-28 | — | — | EP | disclosed |
| WO-2002018345-A1 | QUINOLINE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF | CHIRON CORPORATION (US) | 2002-03-07 | — | — | WO | disclosed |