Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.44 |
| ▸ | ABAT | P80404 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.33 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23912460 | 0.77 | ALDH1A1 (0.49) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL13617872 | 0.75 | ALDH1A1 (0.62) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL14388670 | 0.73 | ALDH1A1 (0.54) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL47357 | 0.73 | CYP2A6 (0.54) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL19312074 | 0.73 | ALDH1A1 (0.54) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL12919933 | 0.72 | AKT1 (0.41) | ALDH1A1HSD17B10LMNASMN1; SMN2 | |
| SCHEMBL7191197 | 0.72 | ALDH1A1 (0.58) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL22084095 | 0.71 | ALDH1A1 (0.47) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL23637785 | 0.71 | ALDH1A1 (0.64) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL4540523 | 0.70 | ALDH1A1 (0.62) | ALDH1A1ALDH5A1ABATPARP10PARP3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018145021-A1 | ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS | GILEAD SCIENCES, INC. (US) | 2018-08-09 | — | — | WO | disclosed |