Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRN | P28799 | 1/20 | 0.44 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CFD | P00746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 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 | |
|---|---|---|---|---|
| SCHEMBL14533530 | 1.00 | GRN (0.44) | GRNSORT1MAPK1BACE1KDM4E | |
| SCHEMBL13993198 | 0.87 | GRN (0.43) | GRNSORT1MAPK1BACE1ALDH1A1 | |
| SCHEMBL28528204 | 0.84 | MAPK1 (0.41) | GRNSORT1MAPK1BACE1KDM4E | |
| SCHEMBL1361481 | 0.84 | MAPK1 (0.41) | GRNSORT1MAPK1BACE1KDM4E | |
| SCHEMBL2763844 | 0.78 | MAPK1 (0.36) | GRNSORT1MAPK1BACE1KDM4E | |
| SCHEMBL16508862 | 0.78 | MAPK1 (0.48) | GRNSORT1MAPK1BACE1ALDH1A1 | |
| SCHEMBL12171679 | 0.78 | MAPK1 (0.48) | GRNSORT1MAPK1BACE1ALDH1A1 | |
| SCHEMBL31473151 | 0.78 | GRN (0.40) | GRNSORT1MAPK1BACE1KDM4E | |
| SCHEMBL23805193 | 0.77 | CTSK (0.46) | KLK5CA1CA2CTSLCTSS | |
| SCHEMBL8372342 | 0.77 | CTSK (0.46) | KLK5CA1CA2CTSLCTSS |
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 |
|---|---|---|---|---|---|---|---|
| US-7371867-B2 | Non-racemic trifluoroleucine, and methods of making and using | TRUSTEES OF TUFTS COLLEGE (US) | 2008-05-13 | — | — | US | disclosed |