Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.67 |
| ▸ | CTSS | P25774 | 1/20 | 0.67 |
| ▸ | CTSK | P43235 | 1/20 | 0.67 |
| ▸ | TACR1 | P25103 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | REN | P00797 | 1/20 | 0.59 |
| ▸ | CCKBR | P32239 | 5/20 | 0.57 |
| ▸ | ACE | P12821 | 2/20 | 0.56 |
| ▸ | CCKAR | P32238 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28585674 | 1.00 | CTSL (0.67) | CTSLCTSSCTSKTACR1MAPT | |
| SCHEMBL28585672 | 1.00 | CTSL (0.67) | CTSLCTSSCTSKTACR1MAPT | |
| SCHEMBL27871522 | 0.94 | TACR1 (0.72) | CTSLCTSSCTSKTACR1MAPT | |
| SCHEMBL30678210 | 0.94 | TACR1 (0.72) | CTSLCTSSCTSKTACR1MAPT | |
| SCHEMBL20829903 | 0.94 | TACR1 (0.72) | CTSLCTSSCTSKTACR1MAPT | |
| SCHEMBL30678217 | 0.94 | TACR1 (0.72) | CTSLCTSSCTSKTACR1MAPT | |
| SCHEMBL13138421 | 0.92 | TACR1 (0.63) | CTSLCTSSCTSKTACR1MAPT | |
| SCHEMBL13138384 | 0.92 | TACR1 (0.63) | CTSLCTSSCTSKTACR1MAPT | |
| SCHEMBL31289555 | 0.90 | CTSL (0.70) | CTSLCTSSCTSKTACR1MAPT | |
| SCHEMBL621684 | 0.90 | TACR1 (0.78) | CTSLCTSSCTSKTACR1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116444600-A | Method for realizing arylation modification of cysteine-containing polypeptide compound under visible light/nickel catalysis in microscale | 南京工业大学 | 2023-07-18 | — | — | CN | disclosed |
| CN-116396353-A | Method for realizing trifluoromethylation of cysteine and polypeptide containing cysteine residue by utilizing micro-flow field reaction device | 南京工业大学 | 2023-07-07 | — | — | CN | disclosed |
| CN-112940071-B | Method for realizing alkynyl functionalization of cysteine and polypeptide thereof by utilizing microchannel reactor | 南京工业大学 | 2023-06-23 | — | — | CN | disclosed |