Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | EP300 | Q09472 | 1/20 | 0.46 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.45 |
| ▸ | F2 | P00734 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8550285 | 0.93 | FKBP1A (0.49) | CYP3A4CYP2C9PKMCYP2C19NPC1 | |
| SCHEMBL8545219 | 0.90 | EP300 (0.54) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL8548631 | 0.85 | CTSK (0.41) | CYP3A4CYP2C9PKMCYP2C19NPC1 | |
| SCHEMBL8548635 | 0.85 | CTSK (0.41) | CYP3A4CYP2C9PKMCYP2C19NPC1 | |
| SCHEMBL8549405 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2C9PKMCYP2C19NPC1 | |
| SCHEMBL8549169 | 0.81 | CYP3A4 (0.64) | CYP3A4CYP2C9PKMCYP2C19NPC1 | |
| SCHEMBL8544266 | 0.78 | HPGD (0.54) | CYP3A4CYP2C9PKMCYP2C19NPC1 | |
| SCHEMBL8544795 | 0.78 | FKBP1A (0.59) | CYP3A4CYP2C9PKMCYP2C19NPC1 | |
| SCHEMBL8550278 | 0.77 | EP300 (0.42) | GAACACNA1GSMN1; SMN2EP300 | |
| SCHEMBL8550282 | 0.77 | EP300 (0.42) | GAACACNA1GSMN1; SMN2EP300 |
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-0564924-B1 | 2-Oxoethyl derivatives as immunosuppressants | BAYER AG (US) | 1998-09-09 | — | — | EP | claimed |
| EP-0564924-A2 | 2-Oxoethyl derivatives as immunosuppressants | Bayer Corporation (US) | 1993-10-13 | — | — | EP | claimed |
| EP-0564924-B1 | 2-Oxoethyl derivatives as immunosuppressants | BAYER AG (US) | 1998-09-09 | — | — | EP | disclosed |
| EP-0564924-A2 | 2-Oxoethyl derivatives as immunosuppressants | Bayer Corporation (US) | 1993-10-13 | — | — | EP | disclosed |