Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5252270 | 0.79 | TSHR (0.44) | CA1CA2KDM4EALDH1A1GAA | |
| SCHEMBL5252267 | 0.79 | KDM4E (0.38) | CA1CA2KDM4EALDH1A1GAA | |
| SCHEMBL7300758 | 0.76 | PGR (0.31) | KDM4EALDH1A1GAAMAPT | |
| SCHEMBL7307006 | 0.72 | KDM4E (0.49) | CA1CA2KDM4EALDH1A1GAA | |
| SCHEMBL7295484 | 0.72 | CA1 (0.44) | CA1CA2KDM4EALDH1A1GAA | |
| SCHEMBL3026903 | 0.70 | CA1 (0.41) | CA1CA2KDM4EALDH1A1GAA | |
| SCHEMBL819411 | 0.68 | CA1 (0.49) | CA1CA2KDM4EALDH1A1GAA | |
| SCHEMBL7302562 | 0.67 | CA1 (0.39) | CA1CA2KDM4EALDH1A1GAA | |
| SCHEMBL29501045 | 0.67 | CYP1A2 (0.42) | CA1CA2KDM4EALDH1A1GAA | |
| SCHEMBL2584711 | 0.67 | CYP1A2 (0.42) | CA1CA2KDM4EALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |