Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Zalcitabine. 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | ALB | P02768 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.45 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PNP | P00491 | 1/20 | 0.42 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.42 |
| ▸ | P2RY4 | P51582 | 1/20 | 0.42 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8104283 | 0.90 | ALDH1A1 (0.70) | LMNAALBALDH1A1MAPK1CYP1A2 | |
| SCHEMBL3162 | 0.90 | ALDH1A1 (0.70) | LMNAALBALDH1A1MAPK1CYP1A2 | |
| SCHEMBL19325461 | 0.90 | ALDH1A1 (0.70) | LMNAALBALDH1A1MAPK1CYP1A2 | |
| SCHEMBL13833316 | 0.90 | ALDH1A1 (0.70) | LMNAALBALDH1A1MAPK1CYP1A2 | |
| SCHEMBL16695889 | 0.90 | ALDH1A1 (0.70) | LMNAALBALDH1A1MAPK1CYP1A2 | |
| Didanosine SCHEMBL7363220 | 0.88 | LMNA (0.77) | LMNAALBALDH1A1MAPK1CYP1A2 | |
| Phosphoric Acid SCHEMBL441920 | 0.86 | ALDH1A1 (0.65) | LMNAALBALDH1A1MAPK1CYP1A2 | |
| Phosphoric Acid SCHEMBL7665465 | 0.86 | ALDH1A1 (0.65) | LMNAALBALDH1A1MAPK1CYP1A2 | |
| Deoxyguanosine SCHEMBL2498296 | 0.84 | POLB (0.57) | LMNAPDE3AHPGDPOLBPNP | |
| Zalcitabine SCHEMBL21100417 | 0.83 | LMNA (0.62) | LMNAALBALDH1A1MAPK1CYP1A2 |
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-105764501-A | Compositions for improving the therapeutic benefit of bisantrene | 现代化制药公司 | 2016-07-13 | — | — | CN | disclosed |
| CN-105764502-A | Combination methods for improving the therapeutic benefit of bisantrene and analogs and derivatives thereof | 现代化制药公司 | 2016-07-13 | — | — | CN | disclosed |