Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FKBP1A | P62942 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | MLX | Q9UH92 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3659013 | 0.85 | ALDH1A1 (0.47) | FKBP1AKMT2AALDH1A1NPC1 | |
| SCHEMBL3662346 | 0.85 | KMT2A (0.45) | FKBP1AKMT2ADPP4XIAPMLX | |
| SCHEMBL3659109 | 0.83 | FKBP1A (0.36) | FKBP1AKMT2AXIAPMLXDPP7 | |
| SCHEMBL3702610 | 0.83 | CTSC (0.41) | FKBP1AKMT2ACTSKXIAPMLX | |
| SCHEMBL3688512 | 0.81 | CTSC (0.41) | FKBP1AKMT2AXIAPMLXALDH1A1 | |
| SCHEMBL3656005 | 0.81 | CTSC (0.42) | CTSK | |
| SCHEMBL2074477 | 0.79 | CTSC (0.53) | DPP4CTSK | |
| SCHEMBL2072354 | 0.79 | CTSC (0.53) | DPP4CTSK | |
| SCHEMBL3657032 | 0.77 | CTSC (0.49) | CTSK | |
| SCHEMBL3661633 | 0.75 | ALDH1A1 (0.47) | FKBP1AKMT2AALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010142985-A1 | SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL]PIPERIDIN-2-YLCARBOXMIDE COMPOUNDS 761 | ASTRAZENECA AB (SE) | 2010-12-16 | — | — | WO | disclosed |
| EP-2231597-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | AstraZeneca AB (SE) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009074829-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | ASTRAZENECA AB (SE) | 2009-06-18 | — | — | WO | disclosed |