Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.69 |
| ▸ | CA2 | P00918 | 1/20 | 0.69 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.40 |
| ▸ | FABP7 | O15540 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3917763 | 0.78 | HSD17B10 (0.48) | CA1CA2POLB | |
| SCHEMBL580310 | 0.77 | CA1 (0.58) | CA1CA2POLB | |
| SCHEMBL15856770 | 0.75 | CA1 (0.50) | CA1CA2HTR2ACASP3KMT2A | |
| SCHEMBL2063849 | 0.74 | CA2 (0.39) | CA1CA2KMT2APOLB | |
| SCHEMBL31501939 | 0.74 | CA1 (0.53) | CA1CA2HTR2AKMT2AFABP5 | |
| SCHEMBL456018 | 0.74 | CA1 (0.53) | CA1CA2HTR2AKMT2AFABP5 | |
| SCHEMBL2730698 | 0.73 | CA1 (0.57) | CA1CA2HTR2AKMT2AFABP5 | |
| SCHEMBL21800942 | 0.71 | CA1 (0.56) | CA1CA2HTR2ACASP3KMT2A | |
| SCHEMBL1275884 | 0.71 | CA1 (0.50) | CA1CA2HTR2AKMT2AFABP5 | |
| SCHEMBL3846181 | 0.71 | CA1 (0.42) | CA1CA2HTR2AKMT2APOLB |
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-118561953-A | Macrocyclic alkynyl thioether peptide compound and preparation method and application thereof | 杭州市西溪医院 | 2024-08-30 | — | — | CN | disclosed |
| WO-2020054287-A1 | PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND | 長瀬産業株式会社 | 2020-03-19 | — | — | WO | disclosed |