Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24672237 | 0.98 | MAPT (0.41) | ALDH1A1MAPTL3MBTL1KDM4ECYP2C9 | |
| SCHEMBL20173174 | 0.90 | ALDH1A1 (0.46) | ALDH1A1MAPTL3MBTL1KDM4ECYP2C9 | |
| SCHEMBL10011964 | 0.88 | MMP3 (0.46) | ALDH1A1MAPTCYP2C9CYP1A2CYP3A4 | |
| SCHEMBL7530139 | 0.88 | MMP3 (0.46) | ALDH1A1MAPTCYP2C9CYP1A2CYP3A4 | |
| SCHEMBL11325723 | 0.86 | MMP3 (0.44) | ALDH1A1MAPTCYP2C9CYP1A2CYP3A4 | |
| SCHEMBL804835 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1KDM4ECYP2C9 | |
| SCHEMBL18288711 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1KDM4ECYP2C9 | |
| SCHEMBL15945883 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1KDM4ECYP2C9 | |
| SCHEMBL18288714 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1KDM4ECYP2C9 | |
| SCHEMBL10129003 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1KDM4ECYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2976322-B1 | SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2019-11-20 | — | — | EP | disclosed |