Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 2/20 | 0.42 |
| ▸ | GSTM2 | P28161 | 2/20 | 0.42 |
| ▸ | GALR2 | O43603 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9757020 | 0.81 | FAAH (0.53) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL9757062 | 0.80 | MAOA (0.54) | ALDH1A1MAPTNPC1RAB9AKDM4E | |
| SCHEMBL31745175 | 0.79 | CYP1A2 (0.46) | ALDH1A1KDM4ESMN1; SMN2CYP1A2LMNA | |
| SCHEMBL14897791 | 0.79 | ALDH1A1 (0.48) | ALDH1A1MAPTNPC1MAPK1KDM4E | |
| SCHEMBL9756939 | 0.79 | GPR35 (0.44) | ALDH1A1MAPTNPC1MAPK1RAB9A | |
| SCHEMBL31745296 | 0.78 | DHODH (0.50) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL9757082 | 0.77 | ELANE (0.44) | KDM4ESMN1; SMN2CYP1A2LMNAPOLB | |
| SCHEMBL6635123 | 0.76 | MAOA (0.48) | ALDH1A1MAPTNPC1NFKB1MAPK1 | |
| SCHEMBL5441389 | 0.75 | ALDH1A1 (0.52) | ALDH1A1MAPTNPC1RAB9AKDM4E | |
| SCHEMBL9757130 | 0.75 | ALDH1A1 (0.43) | ALDH1A1MAPTNPC1RAB9AKDM4E |
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 |