Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL2450374 | 1.00 | ALDH1A1 (0.36) | ALDH1A1GRM5CYP1A2CYP3A4PKM | |
| SCHEMBL14744980 | 0.75 | MYC (0.50) | ALDH1A1GRM5HTTHPGDMEN1 | |
| SCHEMBL16440970 | 0.75 | MYC (0.50) | ALDH1A1GRM5HTTHPGDMEN1 | |
| SCHEMBL14744979 | 0.75 | MYC (0.50) | ALDH1A1GRM5HTTHPGDMEN1 | |
| SCHEMBL12330731 | 0.74 | L3MBTL1 (0.36) | ALDH1A1GRM5PKMGAAMEN1 | |
| SCHEMBL2444548 | 0.73 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4PKMCYP2C19 | |
| SCHEMBL2444546 | 0.73 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4PKMCYP2C19 | |
| SCHEMBL12401775 | 0.71 | L3MBTL1 (0.34) | GRM5GAAMEN1KMT2AMAPK1 | |
| SCHEMBL2162017 | 0.67 | POLB (0.38) | ALDH1A1CYP1A2CYP3A4PKMCYP2C19 | |
| SCHEMBL20348494 | 0.66 | P2RX7 (0.44) | GRM5PKMGAAMEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2366704-B1 | Inhibitors of serine proteases | VERTEX PHARMA (US) | 2013-10-23 | — | — | EP | disclosed |
| EP-2631238-A1 | Spirocyclic inhibitors of serine proteases for the treatment of hcv infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-1917269-B1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMA (US) | 2011-10-26 | — | — | EP | disclosed |
| EP-2366704-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-21 | — | — | EP | disclosed |
| EP-2364984-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-14 | — | — | EP | disclosed |