Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9971862 | 0.89 | APP (0.42) | MAPTESR1KMT2ACYP19A1CYP11B2 | |
| SCHEMBL2210237 | 0.87 | ALDH1A1 (0.34) | ALDH1A1L3MBTL1TDP1CYP2D6KDM4E | |
| SCHEMBL2211757 | 0.82 | PTGS2 (0.41) | ALDH1A1L3MBTL1TDP1CYP2D6KDM4E | |
| SCHEMBL4599993 | 0.82 | CYP19A1 (0.48) | ALDH1A1L3MBTL1TDP1CYP1A2CYP2C9 | |
| SCHEMBL13992021 | 0.81 | ESR1 (0.57) | ALDH1A1L3MBTL1TDP1CYP2D6KDM4E | |
| SCHEMBL9971843 | 0.80 | ALDH1A1 (0.36) | ALDH1A1L3MBTL1TDP1CYP2D6KDM4E | |
| SCHEMBL23316166 | 0.79 | ESR1 (0.60) | ALDH1A1L3MBTL1TDP1CYP2D6KDM4E | |
| SCHEMBL8633334 | 0.79 | ESR1 (0.60) | ALDH1A1L3MBTL1TDP1CYP2D6KDM4E | |
| SCHEMBL14928221 | 0.79 | ESR1 (0.60) | ALDH1A1L3MBTL1TDP1CYP2D6KDM4E | |
| SCHEMBL21387912 | 0.79 | ESR1 (0.60) | ALDH1A1L3MBTL1TDP1CYP2D6KDM4E |
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-20080303422-A1 | Organic Electroluminescent Devices | MERCK PATENT GMBH (DE) | 2008-12-11 | — | — | US | disclosed |