Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22562584 | 0.97 | ALDH1A3 (0.35) | ALDH1A3KDM4EL3MBTL1MAPTALDH1A1 | |
| SCHEMBL22562576 | 0.92 | PTGER4 (0.35) | ALDH1A3KDM4EL3MBTL1MAPTALDH1A1 | |
| SCHEMBL22562587 | 0.91 | ALDH1A3 (0.39) | ALDH1A3KDM4EL3MBTL1MAPTADORA2A | |
| SCHEMBL22562585 | 0.89 | ADORA2A (0.38) | ALDH1A3KDM4EL3MBTL1MAPTALDH1A1 | |
| SCHEMBL22562278 | 0.88 | ALDH1A3 (0.41) | ALDH1A3KDM4EL3MBTL1MAPTALDH1A1 | |
| SCHEMBL22562330 | 0.87 | ALDH1A1 (0.40) | ALDH1A3KDM4EL3MBTL1MAPTALDH1A1 | |
| SCHEMBL22562259 | 0.86 | ALDH1A3 (0.42) | ALDH1A3ADORA2AADORA1MEN1RAB9A | |
| SCHEMBL22562583 | 0.84 | ALDH1A3 (0.39) | ALDH1A3KDM4EL3MBTL1MAPTADORA2A | |
| SCHEMBL22760636 | 0.84 | ALDH1A3 (0.45) | ALDH1A3KDM4EMAPTALDH1A1ADORA2A | |
| SCHEMBL23348415 | 0.84 | ALDH1A1 (0.34) | KDM4EALDH1A1HPGDCYP1A2CYP2C9 |
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-3418278-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2020-10-21 | — | — | EP | disclosed |