Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29294710 | 0.81 | GAA (0.55) | ALDH1A1KDM4EALOX12GAAPOLB | |
| SCHEMBL10130727 | 0.80 | GAA (0.69) | ALDH1A1GAAPOLBNPC1RAB9A | |
| SCHEMBL18773916 | 0.78 | GAA (0.51) | ALDH1A1KDM4EALOX12GAANPC1 | |
| SCHEMBL22281373 | 0.77 | GAA (0.55) | ALDH1A1KDM4EGAANPC1RAB9A | |
| SCHEMBL22845155 | 0.77 | ALDH1A1 (0.54) | ALDH1A1KDM4EALOX12GAAPOLB | |
| SCHEMBL6255733 | 0.74 | NPC1 (0.59) | ALDH1A1KDM4EALOX12GAAPOLB | |
| SCHEMBL24141751 | 0.74 | ALDH1A1 (0.46) | ALDH1A1KDM4EALOX12GAANPC1 | |
| SCHEMBL19605842 | 0.73 | ALDH1A1 (0.49) | ALDH1A1KDM4EALOX12GAAPOLB | |
| SCHEMBL12725950 | 0.73 | HPGD (0.54) | ALDH1A1GAANPC1RAB9ALMNA | |
| SCHEMBL3890654 | 0.72 | GAA (0.49) | ALDH1A1GAAPOLBNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019118313-A1 | IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2019-06-20 | — | — | WO | disclosed |