Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.35 |
| ▸ | FBP1 | P09467 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30988604 | 0.87 | TP53 (0.48) | TP53TDP1CHRM5RELAALDH1A1 | |
| SCHEMBL408218 | 0.87 | TP53 (0.48) | TP53TDP1CHRM5RELAALDH1A1 | |
| SCHEMBL3709195 | 0.84 | TDP1 (0.46) | TP53TDP1CHRM5RELAALDH1A1 | |
| SCHEMBL1358728 | 0.82 | TP53 (0.44) | TP53TDP1CHRM5RELAALDH1A1 | |
| SCHEMBL1359683 | 0.81 | TP53 (0.43) | TP53TDP1CHRM5RELAALDH1A1 | |
| SCHEMBL5033484 | 0.81 | TP53 (0.43) | TP53TDP1CHRM5RELAALDH1A1 | |
| SCHEMBL17027024 | 0.80 | LMNA (0.39) | TP53ALDH1A1TSHRCYP3A4CYP2D6 | |
| SCHEMBL31381747 | 0.79 | PIM1 (0.49) | TP53TDP1ALDH1A1TSHR | |
| SCHEMBL4293317 | 0.79 | PIM1 (0.49) | TP53TDP1ALDH1A1TSHR | |
| SCHEMBL5888447 | 0.79 | TDP1 (0.44) | TP53TDP1CHRM5RELAALDH1A1 |
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-2393822-A1 | PHOSPHINATE RUTHENIUM COMPLEXES | IDENIX Pharmaceuticals, Inc. (US) | 2011-12-14 | — | — | EP | disclosed |
| EP-2250174-A2 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX Pharmaceuticals, Inc. (US) | 2010-11-17 | — | — | EP | disclosed |
| WO-2010090976-A1 | PHOSPHINATE RUTHENIUM COMPLEXES | IDENIX PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |
| WO-2009099596-A2 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARAMACEUTICALS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |