Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.49 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.49 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.49 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.49 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL9073892 | 0.88 | SLC6A2 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL2490445 | 0.86 | SLC7A5 (0.57) | SLC6A2DPP4SLC7A5 | |
| SCHEMBL3486841 | 0.84 | ALPI (0.58) | CYP2D6SLC6A2SLC6A3SLC6A4SLC7A5 | |
| SCHEMBL2734777 | 0.82 | SLC6A2 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL241905 | 0.82 | SLC6A2 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL1473553 | 0.82 | SLC6A2 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| Hydrochloric Acid SCHEMBL1473550 | 0.81 | ALDH1A1 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL6365766 | 0.81 | EPHX2 (0.51) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL21117877 | 0.81 | EPHX2 (0.51) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| Hydrochloric Acid SCHEMBL1168261 | 0.81 | ALDH1A1 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015479-A4 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | LILLY CO ELI (US) | 2002-07-24 | — | — | EP | disclosed |
| EP-1015479-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | ELI LILLY AND COMPANY (US) | 2000-07-05 | — | — | EP | disclosed |
| WO-1998046631-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |