Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.47 |
| ▸ | NEK2 | P51955 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | RXRA | P19793 | 3/20 | 0.41 |
| ▸ | RXRB | P28702 | 3/20 | 0.41 |
| ▸ | RXRG | P48443 | 3/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | TSPO | P30536 | 1/20 | 0.37 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124178 | 1.00 | KIF11 (0.47) | KIF11NEK2PLK1RXRARXRB | |
| SCHEMBL1124349 | 0.89 | RXRA (0.39) | KIF11NEK2PLK1RXRARXRB | |
| SCHEMBL1124354 | 0.89 | RXRA (0.39) | KIF11NEK2PLK1RXRARXRB | |
| SCHEMBL1124560 | 0.87 | NR3C2 (0.40) | NR3C2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1124564 | 0.87 | NR3C2 (0.40) | NR3C2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1124160 | 0.84 | TRPV1 (0.50) | NR3C2CA1CA2CYP2C9 | |
| SCHEMBL1124163 | 0.84 | TRPV1 (0.50) | NR3C2CA1CA2CYP2C9 | |
| SCHEMBL1124537 | 0.79 | ALDH1A1 (0.46) | TSPOP2RY14TMEM97PTGDR2CYP2C9 | |
| SCHEMBL1124531 | 0.79 | ALDH1A1 (0.46) | TSPOP2RY14TMEM97PTGDR2CYP2C9 | |
| SCHEMBL1124358 | 0.78 | KDM4E (0.43) | NR3C2PTGDR2CA1CA2CYP2C9 |
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 4 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 |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | claimed |
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | disclosed |