Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 8/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4627963 | 0.79 | CPA3 (0.41) | KIF11CYP2C19CYP1A2KCNN4 | |
| SCHEMBL4627959 | 0.79 | CPA3 (0.41) | KIF11CYP2C19CYP1A2KCNN4 | |
| SCHEMBL4629185 | 0.76 | MMP2 (0.40) | KIF11 | |
| SCHEMBL4629186 | 0.76 | MMP2 (0.40) | KIF11 | |
| SCHEMBL29084360 | 0.76 | MAPT (0.36) | KIF11MAPTKMT2ACYP2C19CYP1A2 | |
| SCHEMBL1486196 | 0.76 | MAPT (0.36) | KIF11MAPTKMT2ACYP2C19CYP1A2 | |
| SCHEMBL29084359 | 0.76 | MAPT (0.36) | KIF11MAPTKMT2ACYP2C19CYP1A2 | |
| SCHEMBL9802532 | 0.73 | CNR1 (0.36) | KIF11 | |
| SCHEMBL9802526 | 0.73 | CNR1 (0.36) | KIF11 | |
| SCHEMBL5596590 | 0.72 | CYP2C19 (0.39) | KMT2ACYP2C19CYP1A2HTTALDH1A1 |
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-1042280-A2 | PRODRUGS OF ASPARTYL PROTEASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033795-A1 | PRODRUGS OF ASPARTYL PROTEASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-07-08 | — | — | WO | disclosed |
| WO-1999033793-A2 | PRODRUGS OF ASPARTYL PROTEASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-07-08 | — | — | WO | disclosed |
| EP-0833826-A1 | OXYGENATED-HETEROCYCLE CONTAINING SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 1998-04-08 | — | — | EP | disclosed |