Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18941852 | 0.76 | MLYCD (0.33) | MLYCDALDH1A1CYP2C9CYP3A4DGAT1 | |
| SCHEMBL19736265 | 0.74 | MAPT (0.35) | ALDH1A1LMNACYP2C9CYP3A4DGAT1 | |
| SCHEMBL21149284 | 0.72 | IDO1 (0.39) | CYP2C9CYP1A2CYP2D6TSHR | |
| SCHEMBL17034775 | 0.71 | EPHX2 (0.37) | EPHX2ALDH1A1MEN1LMNAKMT2A | |
| SCHEMBL26867109 | 0.70 | CACNA1H (0.30) | — | |
| SCHEMBL3123333 | 0.70 | DGAT1 (0.37) | DGAT1 | |
| SCHEMBL20899726 | 0.70 | DGAT1 (0.37) | DGAT1 | |
| SCHEMBL20908001 | 0.69 | GAA (0.40) | KMT2ADGAT1 | |
| SCHEMBL20625605 | 0.69 | HTT (0.37) | LMNADGAT1 | |
| SCHEMBL13684404 | 0.69 | ALDH1A1 (0.41) | EPHX2MLYCDALDH1A1MEN1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |