Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5770229 | 0.86 | HTR6 (0.34) | HTR6SMN1; SMN2PKMCYP3A4CYP2C19 | |
| SCHEMBL7569774 | 0.84 | MEN1 (0.32) | HTR6SMN1; SMN2PKMCYP3A4CYP2C19 | |
| SCHEMBL1602534 | 0.82 | ABCB1 (0.46) | CYP3A4CTSDALDH1A1MAPTKMT2A | |
| SCHEMBL5772049 | 0.82 | ABCB1 (0.46) | CYP3A4CTSDALDH1A1MAPTKMT2A | |
| SCHEMBL1600751 | 0.82 | ABCB1 (0.46) | CYP3A4CTSDALDH1A1MAPTKMT2A | |
| SCHEMBL1601307 | 0.79 | ABCB1 (0.45) | KMT2A | |
| SCHEMBL1602713 | 0.79 | ABCB1 (0.45) | KMT2A | |
| SCHEMBL1603130 | 0.72 | ABCB1 (0.42) | KMT2A | |
| SCHEMBL1600573 | 0.72 | ABCB1 (0.41) | KMT2A | |
| SCHEMBL5771962 | 0.69 | MMP1 (0.34) | HTR6MMP1MMP9MMP13ALDH1A1 |
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-1159278-B1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMA (US) | 2005-11-30 | — | — | EP | disclosed |