Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | 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 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2449995 | 1.00 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP3A4PKMCYP2C19 | |
| SCHEMBL8363230 | 0.78 | ALDH1A1 (0.38) | ALDH1A1KMT2AHSD17B10PARP1NOTUM | |
| SCHEMBL2451149 | 0.75 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP3A4PKMCYP2C19 | |
| SCHEMBL2451151 | 0.75 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP3A4PKMCYP2C19 | |
| SCHEMBL2451602 | 0.74 | PARP1 (0.36) | CYP1A2CYP3A4CYP2C19HTTMEN1 | |
| SCHEMBL2451601 | 0.74 | PARP1 (0.36) | CYP1A2CYP3A4CYP2C19HTTMEN1 | |
| SCHEMBL2162017 | 0.72 | POLB (0.38) | ALDH1A1CYP1A2CYP3A4PKMCYP2C19 | |
| SCHEMBL29797722 | 0.71 | HTR3A (0.39) | ALDH1A1CYP3A4HSD17B10PARP1NOTUM | |
| SCHEMBL12402027 | 0.71 | PARP1 (0.33) | PARP1NOTUM | |
| SCHEMBL8241025 | 0.71 | PARP1 (0.33) | PARP1NOTUM |
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 |