Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22562240 | 0.98 | ALDH1A3 (0.38) | ALDH1A3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL22562462 | 0.92 | TGFBR1 (0.38) | ALDH1A3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL22562554 | 0.92 | ALDH1A3 (0.38) | ALDH1A3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL22562202 | 0.92 | ALDH1A3 (0.38) | ALDH1A3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL22562241 | 0.92 | ALDH1A3 (0.39) | ALDH1A3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL19908972 | 0.91 | MYC (0.40) | ALDH1A3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL22562347 | 0.90 | CYP11B1 (0.36) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22562212 | 0.89 | CYP11B1 (0.36) | GABRG2GABRB3GABRA5GABRA3CYP11B1 | |
| SCHEMBL22562348 | 0.89 | CLK4 (0.38) | ALDH1A3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL21278886 | 0.89 | MEN1 (0.38) | ALDH1A3GABRA1GABRG2GABRB3GABRA5 |
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 |