Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 4/20 | 0.37 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 5/20 | 0.34 |
| ▸ | CTSK | P43235 | 3/20 | 0.34 |
| ▸ | FASN | P49327 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL28989260 | 1.00 | KMT2A (0.39) | KMT2AAPPALBNR1H2NR1H3 | |
| SCHEMBL28989335 | 0.78 | APP (0.38) | KMT2AAPPNR1H2NR1H3DPP4 | |
| SCHEMBL29455566 | 0.77 | KMT2A (0.45) | KMT2AAPPNR1H2NR1H3DPP4 | |
| SCHEMBL24981065 | 0.77 | KMT2A (0.45) | KMT2AAPPNR1H2NR1H3DPP4 | |
| SCHEMBL28989399 | 0.77 | KMT2A (0.45) | KMT2AAPPNR1H2NR1H3DPP4 | |
| SCHEMBL28989337 | 0.77 | CTSK (0.46) | NR1H2NR1H3CTSCCTSK | |
| SCHEMBL24981066 | 0.77 | CTSK (0.46) | NR1H2NR1H3CTSCCTSK | |
| SCHEMBL29455573 | 0.77 | CTSK (0.46) | NR1H2NR1H3CTSCCTSK | |
| SCHEMBL28989384 | 0.76 | TP53 (0.41) | KMT2A | |
| SCHEMBL28989386 | 0.76 | TP53 (0.41) | KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-115996923-A | Nitrile derivative as dipeptidyl peptidase 1 inhibitor and application thereof | 四川海思科制药有限公司 | 2023-04-21 | — | — | CN | disclosed |
| WO-2022042591-A1 | NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF | 四川海思科制药有限公司 | 2022-03-03 | — | — | WO | disclosed |