Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Vitamin K3H2. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.81 |
| ▸ | LMNA | P02545 | 1/20 | 0.81 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.50 |
| ▸ | NSD2 | O96028 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Vitamin K3H2 SCHEMBL516200 | 1.00 | HTT (0.81) | HTTLMNAPKMMAPTKDM4E | |
| Vitamin K3H2 SCHEMBL29525544 | 0.90 | HTT (1.00) | HTTLMNAPKMMAPTKDM4E | |
| Vitamin K3H2 SCHEMBL297164 | 0.90 | HTT (1.00) | HTTLMNAPKMMAPTKDM4E | |
| Vitamin K3H2 SCHEMBL2887680 | 0.88 | HTT (0.95) | HTTLMNAPKMMAPTKDM4E | |
| Vitamin K3H2 SCHEMBL515182 | 0.85 | HTT (0.81) | HTTLMNAPKMMAPTKDM4E | |
| Vitamin K3H2 SCHEMBL5075246 | 0.85 | HTT (0.81) | HTTLMNAPKMMAPTKDM4E | |
| Vitamin K3H2 SCHEMBL515420 | 0.85 | HTT (0.81) | HTTLMNAPKMMAPTKDM4E | |
| Vitamin K3H2 SCHEMBL27560223 | 0.83 | HTT (0.78) | HTTLMNAPKMMAPTKDM4E | |
| SCHEMBL13811025 | 0.81 | HTT (0.63) | HTTLMNAPKMMAPTKDM4E | |
| Vitamin K3H2 SCHEMBL987810 | 0.81 | HTT (0.75) | HTTLMNAPKMMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-113768881-A | Rapamycin for the treatment of lymphangioleiomyomatosis | 人工智能治疗公司 | 2021-12-10 | — | — | CN | disclosed |