Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 7/20 | 0.51 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | POLB | P06746 | 4/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | KLK7 | P49862 | 1/20 | 0.48 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22880704 | 0.84 | NPC1 (0.52) | MEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL32665591 | 0.79 | NPSR1 (0.53) | NPSR1MEN1KMT2APOLBTDP1 | |
| SCHEMBL6379646 | 0.79 | CTSS (0.53) | CTSSCTSK | |
| SCHEMBL31758256 | 0.79 | TDP1 (0.61) | NPSR1MEN1KMT2APOLBTDP1 | |
| SCHEMBL17309872 | 0.78 | MAPT (0.68) | NPSR1MEN1KMT2ATDP1MAPT | |
| SCHEMBL1303931 | 0.78 | MAPT (0.68) | NPSR1MEN1KMT2ATDP1MAPT | |
| SCHEMBL8239220 | 0.77 | ALDH1A1 (0.57) | ALDH1A1CTSK | |
| SCHEMBL346337 | 0.77 | ALDH1A1 (0.57) | ALDH1A1CTSK | |
| SCHEMBL32665504 | 0.76 | KLK7 (0.54) | NPSR1MEN1KMT2APOLBTDP1 | |
| SCHEMBL26862002 | 0.76 | SIRT1 (0.56) | NPSR1MEN1KMT2APOLBTDP1 |
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-112358414-B | Unnatural amino acids and their use in protein site-directed modification and protein interactions | 中国科学院上海药物研究所 | 2022-03-22 | — | — | CN | disclosed |
| CN-112358414-A | Unnatural amino acids and their use in protein site-directed modification and protein interactions | 中国科学院上海药物研究所 | 2021-02-12 | — | — | CN | disclosed |