Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CPN1 | P15169 | 4/20 | 0.41 |
| ▸ | CPB2 | Q96IY4 | 4/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL258779 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CYP2C9CYP2C19HIF1ACPN1 | |
| SCHEMBL6756443 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CYP2C9CYP2C19HIF1ACPN1 | |
| SCHEMBL28968533 | 0.98 | ALDH1A1 (0.53) | ALDH1A1CYP2C9CYP2C19HIF1ACPN1 | |
| SCHEMBL28968463 | 0.98 | ALDH1A1 (0.53) | ALDH1A1CYP2C9CYP2C19HIF1ACPN1 | |
| SCHEMBL28659361 | 0.98 | ALDH1A1 (0.53) | ALDH1A1CYP2C9CYP2C19HIF1ACPN1 | |
| SCHEMBL13115586 | 0.98 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP2C19HIF1ACPN1 | |
| SCHEMBL27598543 | 0.93 | ALDH1A1 (0.47) | ALDH1A1CYP2C9CYP2C19HIF1ACPN1 | |
| SCHEMBL16249740 | 0.89 | CPN1 (0.45) | ALDH1A1CYP2C9CYP2C19HIF1ACPN1 | |
| SCHEMBL17376821 | 0.89 | CPN1 (0.45) | ALDH1A1CYP2C9CYP2C19HIF1ACPN1 | |
| SCHEMBL7820784 | 0.86 | ALDH1A1 (0.47) | ALDH1A1CYP2C9CYP2C19HIF1ACPN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2008106139-A1 | INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-09-04 | — | — | WO | disclosed |
| WO-2008106058-A2 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-09-04 | — | — | WO | disclosed |
| WO-2007025307-A2 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-03-01 | — | — | WO | disclosed |