Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7087958 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL28101258 | 0.80 | ALDH1A1 (0.48) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL1293247 | 0.79 | ALDH1A1 (0.47) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL29117564 | 0.78 | TSHR (0.50) | ALDH1A1ATMTSHRHCAR2FAAH | |
| SCHEMBL23674229 | 0.77 | ALDH1A1 (0.48) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL23674228 | 0.77 | ALDH1A1 (0.48) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL28215007 | 0.76 | TSHR (0.53) | ALDH1A1TSHRHCAR2FAAHLMNA | |
| SCHEMBL27615445 | 0.76 | TSHR (0.56) | ALDH1A1TSHRHCAR2FAAHLMNA | |
| Ammonia Solution, Strong SCHEMBL27464133 | 0.75 | ALDH1A1 (0.43) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL28421749 | 0.74 | TSHR (0.54) | ALDH1A1TSHRHCAR2FAAHNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103896921-B | As compound and the composition of kinases inhibitor | IRM LLC (BM) | 2016-02-24 | — | — | CN | disclosed |