Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | USP1 | O94782 | 2/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | ME2 | P23368 | 1/20 | 0.35 |
| ▸ | ME1 | P48163 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124355 | 1.00 | KDM4E (0.43) | KDM4EALDH1A1MAPK1SMN1; SMN2DGAT1 | |
| SCHEMBL1124178 | 0.78 | KIF11 (0.47) | CA1CA2PTGDR2NR3C2CYP2C9 | |
| SCHEMBL1124182 | 0.78 | KIF11 (0.47) | CA1CA2PTGDR2NR3C2CYP2C9 | |
| SCHEMBL1124564 | 0.78 | NR3C2 (0.40) | LMNAPTGDR2NR3C2CYP2C9 | |
| SCHEMBL1124560 | 0.78 | NR3C2 (0.40) | LMNAPTGDR2NR3C2CYP2C9 | |
| SCHEMBL2338228 | 0.76 | AKR1C3 (0.50) | SMN1; SMN2CA12CA2CA9LMNA | |
| SCHEMBL2338224 | 0.76 | AKR1C3 (0.50) | SMN1; SMN2CA12CA2CA9LMNA | |
| SCHEMBL1124163 | 0.75 | TRPV1 (0.50) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL1124160 | 0.75 | TRPV1 (0.50) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL3318259 | 0.74 | NOTUM (0.58) | KDM4EALDH1A1MAPK1DGAT1KCNH2 |
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 1 patent. 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 |