Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 6/20 | 0.68 |
| ▸ | ACP3 | P15309 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.45 |
| ▸ | CASR | P41180 | 2/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2493440 | 0.84 | CES2 (0.48) | KIF11ACP3ALDH1A1TSHR | |
| SCHEMBL11540603 | 0.84 | SLC6A3 (0.69) | KIF11ACP3ALDH1A1TSHRPTGDR2 | |
| SCHEMBL2271905 | 0.84 | KIF11 (0.63) | KIF11ACP3ALDH1A1TSHRBACE1 | |
| SCHEMBL2271902 | 0.84 | KIF11 (0.63) | KIF11ACP3ALDH1A1TSHRBACE1 | |
| SCHEMBL2271910 | 0.84 | KIF11 (0.63) | KIF11ACP3ALDH1A1TSHRBACE1 | |
| SCHEMBL163728 | 0.82 | KIF11 (1.00) | KIF11ALDH1A1TSHRBACE1KCNH2 | |
| SCHEMBL9306866 | 0.82 | SLC6A2 (0.55) | ACP3ALDH1A1TSHRSLC6A2SLC6A4 | |
| Ammonia Solution, Strong SCHEMBL21809401 | 0.80 | KIF11 (0.95) | KIF11ALDH1A1TSHRBACE1KCNH2 | |
| SCHEMBL27887943 | 0.80 | KIF11 (0.95) | KIF11ALDH1A1TSHRBACE1KCNH2 | |
| Water SCHEMBL7382449 | 0.80 | KIF11 (0.95) | KIF11ALDH1A1TSHRBACE1KCNH2 |
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-2010040438-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2010-04-15 | — | — | WO | disclosed |