Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 4/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12034441 | 0.80 | CDC7 (0.44) | ALDH1A1HPGDNPC1RAB9AKMT2A | |
| SCHEMBL13494055 | 0.80 | NPC1 (0.47) | ALDH1A1HPGDNPC1RAB9ALCK | |
| SCHEMBL8555889 | 0.79 | ALDH1A1 (0.62) | ALDH1A1HPGDNPC1RAB9AKMT2A | |
| SCHEMBL22750755 | 0.78 | LCK (0.41) | ALDH1A1HPGDNPC1RAB9ALCK | |
| SCHEMBL5528925 | 0.77 | CNR1 (0.46) | ALDH1A1HPGDNPC1RAB9ALCK | |
| SCHEMBL6985283 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HPGDNPC1RAB9AKMT2A | |
| Ammonia Solution, Strong SCHEMBL29139499 | 0.77 | LCK (0.36) | ALDH1A1HPGDNPC1RAB9ALCK | |
| SCHEMBL22750819 | 0.76 | HPGD (0.46) | ALDH1A1HPGDNPC1RAB9ALCK | |
| SCHEMBL25295861 | 0.76 | — | — | |
| SCHEMBL28514334 | 0.76 | NPC1 (0.46) | ALDH1A1HPGDNPC1RAB9AKMT2A |
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-2023131690-A1 | SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS | MERCK PATENT GMBH (DE) | 2023-07-13 | — | — | WO | disclosed |