Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.33 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | SNRNP200 | O75643 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9380202 | 0.67 | POLB (0.39) | MAPT | |
| SCHEMBL4158564 | 0.66 | KMT2A (0.48) | EGFRKMT2AMEN1MAPT | |
| SCHEMBL31689283 | 0.62 | KMT2A (0.35) | EGFRTRPA1KMT2AMEN1 | |
| SCHEMBL26634315 | 0.62 | KMT2A (0.35) | EGFRTRPA1KMT2AMEN1 | |
| SCHEMBL31419571 | 0.62 | BRD4 (0.52) | KMT2AMEN1HTTSMN1; SMN2HTR7 | |
| Opaviraline SCHEMBL865250 | 0.61 | KMT2A (0.43) | KMT2AMEN1MAPT | |
| Opaviraline SCHEMBL464732 | 0.61 | KMT2A (0.43) | KMT2AMEN1MAPT | |
| SCHEMBL23835718 | 0.60 | CYP1A2 (0.50) | KMT2AHTTSMN1; SMN2HTR7CYP1A2 | |
| SCHEMBL12257628 | 0.60 | CYP1A2 (0.50) | KMT2AHTTSMN1; SMN2HTR7CYP1A2 | |
| SCHEMBL12440856 | 0.60 | IDO1 (0.54) | KMT2AHTTSMN1; SMN2CYP1A2MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1686113-B1 | Inhibitors of aspartyl protease | VERTEX PHARMA (US) | 2011-11-23 | — | — | EP | claimed |
| EP-1686113-B1 | Inhibitors of aspartyl protease | VERTEX PHARMA (US) | 2011-11-23 | — | — | EP | disclosed |
| US-7919523-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS, INC. (US) | 2011-04-05 | — | — | US | disclosed |
| US-6617350-B2 | Sulfonamides which are aspartyl protease inhibitors; well suited for inhibiting HIV-1 and HIV-2 protease activity | VERTEX PHARMACEUTICALS INCORPORATED | 2003-09-09 | — | — | US | disclosed |