Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIP5K1C | O60331 | 3/20 | 0.54 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.54 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.54 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.52 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.52 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.52 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | MGLL | Q99685 | 1/20 | 0.51 |
| ▸ | PIP5K1B | O14986 | 1/20 | 0.51 |
| ▸ | PIP5K1A | Q99755 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28872344 | 0.92 | SMN1; SMN2 (0.56) | PIP5K1CPIK3CAMAP4K4MAPK10MAPK8 | |
| SCHEMBL27923186 | 0.84 | GAA (0.62) | ALDH1A1POLBHTTTDP1SMN1; SMN2 | |
| SCHEMBL8278939 | 0.83 | NPSR1 (0.68) | PIP5K1CPIK3CAMAP4K4MAPK10MAPK8 | |
| SCHEMBL29076764 | 0.81 | NPSR1 (0.63) | ALDH1A1POLBHTTTDP1SMN1; SMN2 | |
| SCHEMBL17896347 | 0.80 | ACKR3 (0.57) | PIP5K1CPIK3CAMAP4K4MAPK10MAPK8 | |
| SCHEMBL16401329 | 0.80 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2MGLLNPC1RAB9A | |
| SCHEMBL27347877 | 0.78 | F10 (0.63) | ALDH1A1POLBHTTTDP1SMN1; SMN2 | |
| SCHEMBL31401961 | 0.77 | KMT2A (0.56) | PIP5K1CPIK3CAMAP4K4MAPK10MAPK8 | |
| Hydrochloric Acid SCHEMBL30690907 | 0.77 | F10 (0.61) | ALDH1A1POLBHTTTDP1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27146052 | 0.77 | F10 (0.61) | ALDH1A1POLBHTTTDP1SMN1; SMN2 |
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-2855459-B1 | AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2020-04-29 | — | — | EP | disclosed |