Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | TACR3 | P29371 | 2/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL19575724 | 0.86 | PPARG (0.37) | ALDH1A1HTTSMN1; SMN2LMNAMAPT | |
| SCHEMBL26212223 | 0.85 | TMIGD3 (0.41) | ALDH1A1HTTSMN1; SMN2LMNAFAAH | |
| SCHEMBL19575371 | 0.85 | TMIGD3 (0.41) | ALDH1A1HTTSMN1; SMN2LMNAFAAH | |
| SCHEMBL19575392 | 0.85 | ALDH1A1 (0.39) | ALDH1A1HTTSMN1; SMN2LMNAMAPT | |
| SCHEMBL19575642 | 0.84 | SERPINA3 (0.47) | ALDH1A1HTTSMN1; SMN2LMNAFAAH | |
| SCHEMBL26212539 | 0.84 | HDAC1 (0.42) | TMIGD3ADORA2AADORA1 | |
| SCHEMBL19575639 | 0.84 | HDAC1 (0.42) | TMIGD3ADORA2AADORA1 | |
| SCHEMBL26212252 | 0.84 | SERPINA3 (0.47) | ALDH1A1HTTSMN1; SMN2LMNAFAAH | |
| SCHEMBL26212177 | 0.83 | ADORA2A (0.49) | ALDH1A1SMN1; SMN2LMNAADORA2AADORA1 | |
| SCHEMBL19574920 | 0.83 | ADORA2A (0.49) | ALDH1A1SMN1; SMN2LMNAADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3452477-B1 | ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | B C I PHARMA (BE) | 2023-09-13 | — | — | EP | disclosed |