Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7931002 | 0.84 | ALDH1A1 (0.50) | NPC1ALDH1A1MAPTSMN1; SMN2TAAR1 | |
| SCHEMBL9219925 | 0.78 | TAAR1 (0.50) | GAAALDH1A1MEN1MAPTTHRB | |
| SCHEMBL202933 | 0.78 | ALDH1A1 (0.43) | GAANPC1ALDH1A1MEN1MAPT | |
| SCHEMBL25425757 | 0.78 | TAAR1 (0.45) | NPC1ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL6189730 | 0.78 | ALDH1A1 (0.43) | GAANPC1ALDH1A1MEN1MAPT | |
| SCHEMBL4406554 | 0.77 | ALDH1A1 (0.50) | GAANPC1ALDH1A1MEN1MAPT | |
| SCHEMBL29513975 | 0.77 | ALDH1A1 (0.50) | GAANPC1ALDH1A1MEN1MAPT | |
| SCHEMBL7964253 | 0.77 | ALDH1A1 (0.42) | NPC1ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL28097249 | 0.77 | GAA (0.42) | GAANPC1ALDH1A1MEN1MAPT | |
| SCHEMBL16134068 | 0.77 | ALDH1A1 (0.42) | GAAALDH1A1MEN1MAPTTHRB |
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-2022266426-A1 | 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF | BLACK DIAMOND THERAPEUTICS, INC. (US) | 2022-12-22 | — | — | WO | disclosed |