Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | FNTA | P49354 | 7/20 | 0.44 |
| ▸ | FNTB | P49356 | 7/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24263683 | 0.87 | FNTA (0.39) | KDM4EKMT2AALDH1A1HPGDCYP1A2 | |
| SCHEMBL13569581 | 0.78 | CA1 (0.34) | KDM4EKMT2AALDH1A1HPGDCYP1A2 | |
| SCHEMBL22722197 | 0.77 | ALDH1A1 (0.50) | KDM4EKMT2AALDH1A1HPGDCYP1A2 | |
| SCHEMBL22973003 | 0.75 | CA1 (0.49) | KDM4EFNTAFNTBCA1CA2 | |
| SCHEMBL4805583 | 0.75 | ALDH1A1 (0.48) | KDM4EKMT2AALDH1A1HPGDCYP1A2 | |
| SCHEMBL15856051 | 0.75 | ALDH1A1 (0.57) | KDM4EKMT2AALDH1A1HPGDCYP1A2 | |
| SCHEMBL17502982 | 0.74 | KDM4E (0.50) | KDM4EKMT2AALDH1A1HPGDCYP1A2 | |
| SCHEMBL30056283 | 0.72 | CA1 (0.49) | KDM4EKMT2AALDH1A1FNTAFNTB | |
| SCHEMBL12177611 | 0.72 | ALDH1A1 (0.48) | KDM4EKMT2AALDH1A1HPGDCYP1A2 | |
| SCHEMBL16581128 | 0.71 | ALDH1A1 (0.66) | KDM4EKMT2AALDH1A1HPGDCYP1A2 |
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-3779449-A2 | DYNAMIC COMBINATORIAL LIBRARY BASED ON PSEUDOPEPTIDES AND ITS USE FOR THE DETECTION OF CYSTEINE AND OTHER BIOTHIOLS | Consejo Superior de Investigaciones Cientificas (CSIC) (ES) | 2021-02-17 | — | — | EP | disclosed |