Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | SFN | P31947 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13449655 | 0.83 | ALDH1A1 (0.53) | TP53CA1CA2CA5ACA9 | |
| SCHEMBL16674090 | 0.83 | ALDH1A1 (0.53) | TP53CA1CA2CA5ACA9 | |
| SCHEMBL15083519 | 0.83 | CA1 (0.42) | TP53CA1CA2CA5ACA9 | |
| SCHEMBL21671191 | 0.78 | TP53 (0.38) | TP53CA1CA2CA5ACA9 | |
| SCHEMBL23623916 | 0.78 | HDAC8 (0.40) | TP53CA1CA2CA5ACA9 | |
| SCHEMBL18074915 | 0.76 | CYP51A1 (0.45) | TP53CA1CA2CA5ACA9 | |
| SCHEMBL23623804 | 0.76 | HDAC8 (0.41) | TP53SLC6A3SCN1ASCN2ASCN3A | |
| SCHEMBL23623815 | 0.76 | TP53 (0.36) | TP53CA1CA2CA5ACA9 | |
| SCHEMBL22833179 | 0.76 | LMNA (0.48) | SCN1ASCN2ASCN3APLAUHDAC1 | |
| SCHEMBL25303252 | 0.76 | PLAU (0.49) | PLAUHDAC1HDAC2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2813512-B1 | PEPTIDE-COMPOUND CYCLIZATION METHOD | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2021-03-31 | — | — | EP | disclosed |