Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | FASN | P49327 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18546470 | 1.00 | PDK1 (0.53) | PDK1ALDH1A1KDM4ELMNARECQL | |
| SCHEMBL4137922 | 0.88 | PDK1 (0.66) | PDK1 | |
| SCHEMBL27669802 | 0.88 | PDK1 (0.66) | PDK1 | |
| SCHEMBL3516619 | 0.88 | PDK1 (0.66) | PDK1 | |
| SCHEMBL22741444 | 0.85 | PDK1 (0.50) | PDK1ALDH1A1KDM4ELMNARECQL | |
| SCHEMBL4961092 | 0.78 | PDK1 (0.58) | PDK1ALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL15321980 | 0.78 | PDK1 (0.46) | PDK1ALDH1A1KDM4ERECQLPOLB | |
| SCHEMBL30538011 | 0.77 | MAPT (0.53) | PDK1ALDH1A1KDM4ERECQLHPGD | |
| SCHEMBL16932282 | 0.77 | MAPT (0.53) | PDK1ALDH1A1KDM4ERECQLHPGD | |
| SCHEMBL18593720 | 0.77 | PDK1 (0.45) | PDK1ALDH1A1RECQLPOLBFASN |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114106005-A | Nitrile derivative as dipeptidyl peptidase 1 inhibitor and application thereof | 四川海思科制药有限公司 | 2022-03-01 | — | — | CN | disclosed |