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 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | ALB | P02768 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | ABL1 | P00519 | 2/20 | 0.46 |
| ▸ | RIN1 | Q13671 | 2/20 | 0.46 |
| ▸ | ADA | P00813 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 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 SCHEMBL7910803 | 0.99 | ALDH1A1 (0.60) | ALDH1A1LMNAALBMAPK1ABL1 | |
| Didanosine SCHEMBL8709115 | 0.99 | ALDH1A1 (0.60) | ALDH1A1LMNAALBMAPK1ABL1 | |
| Didanosine SCHEMBL7907423 | 0.97 | ALDH1A1 (0.59) | ALDH1A1LMNAALBMAPK1ABL1 | |
| Didanosine SCHEMBL1769151 | 0.97 | ALDH1A1 (0.61) | ALDH1A1LMNAALBMAPK1ABL1 | |
| Didanosine SCHEMBL3364 | 0.97 | ALDH1A1 (0.61) | ALDH1A1LMNAALBMAPK1ABL1 | |
| Didanosine SCHEMBL12150307 | 0.97 | ALDH1A1 (0.61) | ALDH1A1LMNAALBMAPK1ABL1 | |
| Didanosine SCHEMBL29387997 | 0.97 | ALDH1A1 (0.61) | ALDH1A1LMNAALBMAPK1ABL1 | |
| Didanosine SCHEMBL7910809 | 0.96 | ALDH1A1 (0.60) | ALDH1A1LMNAALBMAPK1ABL1 | |
| Didanosine SCHEMBL9223571 | 0.92 | ALDH1A1 (0.56) | ALDH1A1LMNAALBMAPK1ABL1 | |
| Didanosine SCHEMBL8025110 | 0.92 | ALDH1A1 (0.58) | ALDH1A1LMNAALBMAPK1ABL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6207650-B1 | USEFUL AS INTERMEDIATES OR AS ANTIVIRAL AGENTS | BRISTOL-MYERS SQUIBB COMPANY | 2001-03-27 | — | — | US | claimed |
| EP-0398230-B1 | Antiviral, highly water soluble, stable, crystalline salts of 2',3'-dideoxyinoside monohydrate, 2',3'-dideoxy-2',3'-didehydrothymidine monohydrate and 2',3'-dideoxy-2'-fluoroinosine hemihydrate | BRISTOL MYERS SQUIBB CO (US) | 1998-01-21 | — | — | EP | claimed |