Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 3/20 | 0.39 |
| ▸ | RXRB | P28702 | 3/20 | 0.39 |
| ▸ | RXRG | P48443 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 4/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.36 |
| ▸ | NEK2 | P51955 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | TSPO | P30536 | 1/20 | 0.36 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124349 | 1.00 | RXRA (0.39) | RXRARXRBRXRGHDAC1KDM1A | |
| SCHEMBL1124182 | 0.89 | KIF11 (0.47) | RXRARXRBRXRGKIF11PSEN1 | |
| SCHEMBL1124178 | 0.89 | KIF11 (0.47) | RXRARXRBRXRGKIF11PSEN1 | |
| SCHEMBL1124282 | 0.86 | MAP4K4 (0.34) | RXRARXRBRXRGHDAC1KDM1A | |
| SCHEMBL1124276 | 0.86 | MAP4K4 (0.34) | RXRARXRBRXRGHDAC1KDM1A | |
| SCHEMBL1124560 | 0.81 | NR3C2 (0.40) | HDAC1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1124564 | 0.81 | NR3C2 (0.40) | HDAC1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1124163 | 0.79 | TRPV1 (0.50) | HDAC1KDM1ANR3C2CYP2C9CA1 | |
| SCHEMBL1124160 | 0.79 | TRPV1 (0.50) | HDAC1KDM1ANR3C2CYP2C9CA1 | |
| SCHEMBL1124531 | 0.76 | ALDH1A1 (0.46) | TSPOP2RY14TMEM97PTGDR2CYP2C9 |
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-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | claimed |
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | disclosed |