Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | PFKFB3 | Q16875 | 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 | |
|---|---|---|---|---|
| SCHEMBL9757280 | 0.90 | POLB (0.39) | ALOX5MAOBMAPTALDH1A1NPC1 | |
| SCHEMBL9757131 | 0.86 | MAOB (0.42) | MAOBMAOATARBP2CYP1A2MAPT | |
| SCHEMBL9757055 | 0.78 | DPP4 (0.43) | MAOACYP1A2ALDH1A1TP53HSD17B10 | |
| SCHEMBL3616211 | 0.76 | CYP1A2 (0.49) | CYP1A2MAPTALDH1A1NPC1TP53 | |
| SCHEMBL14897914 | 0.74 | ALDH1A1 (0.48) | MAOACYP1A2MAPTALDH1A1NPC1 | |
| SCHEMBL10829015 | 0.74 | MAOB (0.52) | ALOX5MAOBTARBP2CYP1A2MAPT | |
| SCHEMBL18342460 | 0.74 | CYP1A2 (0.46) | ALOX5TARBP2CYP1A2MAPTALDH1A1 | |
| SCHEMBL18342357 | 0.73 | CYP1A2 (0.45) | MAOBMAOATARBP2CYP1A2MAPT | |
| SCHEMBL9757144 | 0.72 | CYP3A4 (0.48) | MAOBMAOACYP1A2ALDH1A1HTT | |
| SCHEMBL3614948 | 0.72 | RAB9A (0.62) | ALOX5MAPTALDH1A1NPC1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991019475-A2 | QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1991-12-26 | — | — | WO | disclosed |
| US-5041453-A | Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1991-08-20 | — | — | US | disclosed |