Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | EGFR | P00533 | 3/20 | 0.53 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.52 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | GALR2 | O43603 | 2/20 | 0.52 |
| ▸ | GALR1 | P47211 | 2/20 | 0.52 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28736338 | 1.00 | ROCK1 (0.67) | ROCK1MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL20355235 | 0.86 | RAB9A (0.72) | ROCK1MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL29609310 | 0.84 | MAPT (0.72) | ROCK1MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL28736243 | 0.84 | MAPT (0.72) | ROCK1MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL29610529 | 0.84 | RAB9A (0.73) | MEN1KMT2AMAPTMAPK1POLB | |
| SCHEMBL28736336 | 0.84 | RAB9A (0.73) | MEN1KMT2AMAPTMAPK1POLB | |
| SCHEMBL28736428 | 0.81 | NUDT1 (0.58) | MAPTPOLBRAB9ANPC1EGFR | |
| SCHEMBL29609757 | 0.81 | NUDT1 (0.58) | MAPTPOLBRAB9ANPC1EGFR | |
| SCHEMBL12968972 | 0.80 | ROCK1 (1.00) | ROCK1MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL28736260 | 0.80 | POLB (0.68) | ROCK1MEN1KMT2AMAPTMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108191774-B | Heterocyclic compound, preparation method and application thereof | 中国药科大学 | 2022-05-24 | — | — | CN | claimed |
| CN-108191774-B | Heterocyclic compound, preparation method and application thereof | 中国药科大学 | 2022-05-24 | — | — | CN | disclosed |