Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 6/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 8/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28989386 | 1.00 | TP53 (0.41) | TP53PAX8MAPTRXFP1BLM | |
| SCHEMBL28989681 | 0.78 | CTSK (0.45) | TP53PAX8MAPTRXFP1BLM | |
| SCHEMBL28989680 | 0.78 | MAPT (0.42) | TP53PAX8MAPTRXFP1BLM | |
| SCHEMBL24981830 | 0.78 | CTSK (0.45) | TP53PAX8MAPTRXFP1BLM | |
| SCHEMBL24981832 | 0.77 | APP (0.46) | TP53PAX8MAPTBLMPOLB | |
| SCHEMBL28989284 | 0.77 | APP (0.46) | TP53PAX8MAPTBLMPOLB | |
| SCHEMBL28989260 | 0.76 | KMT2A (0.39) | KMT2A | |
| SCHEMBL28989261 | 0.76 | KMT2A (0.39) | KMT2A | |
| SCHEMBL24981714 | 0.74 | MAPT (0.53) | TP53PAX8MAPTBLMPOLB | |
| SCHEMBL28989783 | 0.71 | CTSC (0.47) | — |
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 |