Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10489348 | 0.70 | MAPK1 (0.62) | ALDH1A1MAPK1CES1NPC1CA1 | |
| SCHEMBL22754110 | 0.68 | CES1 (0.63) | ALDH1A1MAPK1CES1CA1CA2 | |
| SCHEMBL10489434 | 0.66 | MAPK1 (0.56) | ALDH1A1MAPK1CES1CA1CA2 | |
| SCHEMBL3988785 | 0.66 | MAPK1 (0.56) | ALDH1A1MAPK1CES1CA1CA2 | |
| SCHEMBL3327795 | 0.66 | CES1 (0.71) | ALDH1A1MAPK1CES1CA1CA2 | |
| SCHEMBL6577708 | 0.64 | CES1 (0.57) | ALDH1A1MAPK1CES1CA1CA2 | |
| SCHEMBL27765 | 0.64 | MAPK1 (1.00) | ALDH1A1MAPK1CES1NPC1CA1 | |
| SCHEMBL10489388 | 0.64 | MAPK1 (0.53) | ALDH1A1MAPK1CES1CA1CA2 | |
| SCHEMBL4603989 | 0.63 | CES1 (1.00) | ALDH1A1MAPK1CES1CA1CA2 | |
| SCHEMBL10723714 | 0.63 | SRD5A2 (0.83) | ALDH1A1MAPK1CES1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017083719-A1 | TRANSITION METAL FREE METHODS OF SYNTHESIS OF BIARYL COMPOUNDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-05-18 | — | — | WO | disclosed |