Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 8/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.39 |
| ▸ | CPT1A | P50416 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17188771 | 0.85 | CPT1A (0.41) | GAAMAPTALDH1A1HPGDHTT | |
| SCHEMBL17188766 | 0.82 | KMT2A (0.57) | PTGS2MAPTALDH1A1HPGDHTT | |
| SCHEMBL17188733 | 0.76 | GAA (0.40) | GAAPTGS2MAPTALDH1A1HPGD | |
| SCHEMBL7988045 | 0.70 | RAB9A (0.62) | GAAPTGS2MAPTALDH1A1HPGD | |
| SCHEMBL8895685 | 0.69 | ALDH1A1 (0.63) | MAPTALDH1A1KDM4ETHRBSMN1; SMN2 | |
| SCHEMBL3179153 | 0.69 | KMT2A (0.52) | GAAPTGS2MAPTALDH1A1HPGD | |
| SCHEMBL2826747 | 0.68 | SMN1; SMN2 (0.48) | MAPTALDH1A1HPGDHTTKDM4E | |
| SCHEMBL17188722 | 0.68 | CCNT1 (0.51) | CPT1AKMT2AMEN1NPC1 | |
| SCHEMBL8459487 | 0.68 | HPGD (0.53) | GAAPTGS2MAPTALDH1A1HPGD | |
| SCHEMBL8895004 | 0.67 | KMT2A (0.48) | MAPTALDH1A1HPGDHTTKDM4E |
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-2265606-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-10-21 | — | — | EP | disclosed |