Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7768248 | 0.86 | ALDH1A1 (0.45) | ALDH1A1P2RX7NPSR1KMT2A | |
| SCHEMBL25217534 | 0.86 | ALDH1A1 (0.45) | ALDH1A1P2RX7NPSR1KMT2A | |
| SCHEMBL11116918 | 0.83 | CYP3A4 (0.44) | ALDH1A1P2RX7MRGPRX4PDK1PDK2 | |
| SCHEMBL14660970 | 0.80 | ALDH1A1 (0.50) | ALDH1A1P2RX7MRGPRX4PDK1PDK2 | |
| SCHEMBL30349567 | 0.80 | ALDH1A1 (0.50) | ALDH1A1P2RX7MRGPRX4PDK1PDK2 | |
| SCHEMBL5912933 | 0.80 | PDK1 (0.44) | ALDH1A1P2RX7MRGPRX4PDK1PDK2 | |
| SCHEMBL533893 | 0.79 | P2RX7 (0.41) | ALDH1A1P2RX7MRGPRX4PDK1PDK2 | |
| SCHEMBL13873028 | 0.78 | NPC1 (0.41) | ALDH1A1P2RX7PDK1PDK2PDK3 | |
| SCHEMBL11458388 | 0.78 | IDO1 (0.49) | ALDH1A1 | |
| SCHEMBL11112081 | 0.77 | FFAR1 (0.51) | ALDH1A1P2RX7MRGPRX4FFAR1 |
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-0038071-B1 | NEW UNLABELLED AND RADIOACTIVE LABELLED DERIVATIVES OF BUTYLAMINO PROPIOPHENONE, THEIR PREPARATION, IMMUNOGENS OBTAINED FROM THE UNLABELLED DERIVATIVES AND A PROCESS FOR IMMUNOGEN PREPARATION, ANTISERA RAISED USING THE IMMUNOGENS AND A METHOD FOR RAISING ANTISERA, A RADIOIMMUNOASSAY METHOD AND A TEST KIT FOR USE IN THE ASSAY METHOD | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-11-14 | — | — | EP | disclosed |