Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Didanosine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.95 |
| ▸ | LMNA | P02545 | 1/20 | 0.95 |
| ▸ | ALB | P02768 | 1/20 | 0.95 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.95 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | TYMP | P19971 | 2/20 | 0.46 |
| ▸ | STING1 | Q86WV6 | 2/20 | 0.44 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Didanosine SCHEMBL5021456 | 0.98 | ALDH1A1 (1.00) | ALDH1A1LMNAALBMAPK1TDP1 | |
| Didanosine SCHEMBL16695883 | 0.98 | ALDH1A1 (1.00) | ALDH1A1LMNAALBMAPK1TDP1 | |
| Didanosine SCHEMBL16695885 | 0.98 | ALDH1A1 (1.00) | ALDH1A1LMNAALBMAPK1TDP1 | |
| Didanosine SCHEMBL1674335 | 0.98 | ALDH1A1 (1.00) | ALDH1A1LMNAALBMAPK1TDP1 | |
| Didanosine SCHEMBL3363 | 0.98 | ALDH1A1 (1.00) | ALDH1A1LMNAALBMAPK1TDP1 | |
| Didanosine SCHEMBL16695888 | 0.98 | ALDH1A1 (1.00) | ALDH1A1LMNAALBMAPK1TDP1 | |
| Didanosine SCHEMBL284944 | 0.93 | ALDH1A1 (0.91) | ALDH1A1LMNAALBMAPK1TDP1 | |
| Didanosine SCHEMBL887093 | 0.93 | ALDH1A1 (0.91) | ALDH1A1LMNAALBMAPK1TDP1 | |
| Didanosine SCHEMBL2327408 | 0.90 | ALDH1A1 (0.85) | ALDH1A1LMNAALBMAPK1TDP1 | |
| Didanosine SCHEMBL7787270 | 0.89 | ALDH1A1 (0.84) | ALDH1A1LMNAALBMAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6207650-B1 | USEFUL AS INTERMEDIATES OR AS ANTIVIRAL AGENTS | BRISTOL-MYERS SQUIBB COMPANY | 2001-03-27 | — | — | US | disclosed |