Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | CASP1 | P29466 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL360458 | 1.00 | NPC1 (0.57) | NPC1POLBRAB9ACA1CA2 | |
| Water SCHEMBL29954172 | 0.98 | NPC1 (0.55) | NPC1POLBRAB9ACA1CA2 | |
| Hydrochloric Acid SCHEMBL29952307 | 0.98 | NPC1 (0.55) | NPC1POLBRAB9ACA1CA2 | |
| SCHEMBL12488527 | 0.95 | NPC1 (0.52) | NPC1POLBRAB9ACA1CA2 | |
| SCHEMBL16633189 | 0.89 | NPC1 (0.57) | NPC1POLBRAB9AALDH1A1MAPT | |
| SCHEMBL17366281 | 0.85 | ALDH1A1 (0.55) | NPC1POLBRAB9AALDH1A1MAPT | |
| SCHEMBL317300 | 0.85 | ALDH1A1 (0.58) | NPC1POLBRAB9ACA1CA2 | |
| Hydrochloric Acid SCHEMBL12506154 | 0.83 | ALDH1A1 (0.56) | NPC1POLBRAB9ACA1CA2 | |
| SCHEMBL28715752 | 0.81 | CYP3A4 (0.56) | NPC1POLBRAB9ACA1CA2 | |
| SCHEMBL29420006 | 0.81 | CYP3A4 (0.56) | NPC1POLBRAB9ACA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117756781-B | Indole histone deacetylase family inhibitor with anti-tumor effect | 沈阳药科大学 | 2025-06-13 | — | — | CN | disclosed |
| EP-4444309-A1 | PYRIMIDINES AND METHODS OF THEIR USE | Kineta, Inc. (US) | 2024-10-16 | — | — | EP | disclosed |
| WO-2023107603-A1 | PYRIMIDINES AND METHODS OF THEIR USE | Kineta, Inc. (US) | 2023-06-15 | — | — | WO | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |