Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 2/20 | 0.42 |
| ▸ | FAP | Q12884 | 1/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | MLX | Q9UH92 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 2/20 | 0.41 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.41 |
| ▸ | PREP | P48147 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3661348 | 0.85 | FKBP1A (0.39) | KMT2ADPP4DPP7XIAPMLX | |
| SCHEMBL3702610 | 0.85 | CTSC (0.41) | KMT2AXIAPMLXFKBP1ANPC1 | |
| SCHEMBL3657671 | 0.84 | CTSC (0.44) | DPP4DPP8DPP9DPP7 | |
| SCHEMBL3656005 | 0.83 | CTSC (0.42) | — | |
| SCHEMBL3688512 | 0.83 | CTSC (0.41) | KMT2AXIAPMLXALDH1A1KCNH2 | |
| SCHEMBL3657032 | 0.79 | CTSC (0.49) | KCNH2 | |
| SCHEMBL3659109 | 0.79 | FKBP1A (0.36) | KMT2ADPP7XIAPMLXCYP3A4 | |
| SCHEMBL2075139 | 0.79 | CTSC (0.60) | DPP4FAPDPP8DPP9DPP7 | |
| SCHEMBL3657635 | 0.76 | CTSC (0.60) | CYP3A4CYP2C19KCNH2 | |
| SCHEMBL3659013 | 0.71 | ALDH1A1 (0.47) | KMT2AALDH1A1FKBP1ANPC1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |