Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.31 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28707499 | 1.00 | CYP2D6 (0.61) | CYP2D6CYP2C19ATMALDH1A1MEN1 | |
| SCHEMBL8221082 | 0.82 | CYP2D6 (0.52) | CYP2D6CYP2C19ATMALDH1A1MEN1 | |
| SCHEMBL25237462 | 0.81 | ALDH1A1 (0.40) | CYP2D6CYP2C19ATMALDH1A1MEN1 | |
| SCHEMBL16094155 | 0.81 | ALDH1A1 (0.40) | CYP2D6CYP2C19ATMALDH1A1MEN1 | |
| SCHEMBL4474178 | 0.80 | — | — | |
| SCHEMBL21994744 | 0.80 | — | — | |
| SCHEMBL9165632 | 0.80 | — | — | |
| SCHEMBL18123880 | 0.80 | — | — | |
| SCHEMBL7562945 | 0.79 | KMT2A (0.42) | CYP2D6CYP2C19ATMALDH1A1MEN1 | |
| SCHEMBL6417014 | 0.78 | — | — |
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-2402009-A1 | Inhibitors of serine protease, particularly hepatitis c virus NS3-NS4A protease, incorporating a fused ring system | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-04 | — | — | EP | disclosed |