Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 5/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL15434884 | 0.92 | PGR (0.38) | HTTFAAHHSP90AA1MGLLPGR | |
| SCHEMBL25471717 | 0.92 | ALDH1A1 (0.38) | ALDH1A1HTTFAAHHSP90AA1PKM | |
| SCHEMBL13231543 | 0.91 | HTT (0.43) | ALDH1A1HTTFAAHHSP90AA1PKM | |
| SCHEMBL13231569 | 0.89 | HTT (0.42) | ALDH1A1HTTFAAHHSP90AA1PKM | |
| SCHEMBL25471678 | 0.88 | ALDH1A1 (0.33) | ALDH1A1HTTFAAHHSP90AA1PKM | |
| SCHEMBL25471753 | 0.88 | ALDH1A1 (0.33) | ALDH1A1HTTFAAHHSP90AA1PKM | |
| SCHEMBL17171628 | 0.88 | PGR (0.41) | ALDH1A1HTTPGRCYP1A2CYP2D6 | |
| SCHEMBL13231611 | 0.88 | HTT (0.41) | ALDH1A1HTTFAAHHSP90AA1PKM | |
| SCHEMBL25471749 | 0.87 | ALDH1A1 (0.33) | ALDH1A1HTTFAAHHSP90AA1PKM | |
| SCHEMBL17171652 | 0.86 | PGR (0.35) | ALDH1A1PGRCYP1A2CYP2D6ADAMTS5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2872589-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-07-26 | — | — | EP | disclosed |
| WO-2014008967-A2 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2014-01-16 | — | — | WO | disclosed |