Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 5/20 | 0.34 |
| ▸ | BCHE | P06276 | 5/20 | 0.34 |
| ▸ | PPARG | P37231 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 4/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19030567 | 0.81 | ALDH1A1 (0.39) | NPC1SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL19030382 | 0.81 | PPARA (0.40) | PPARAPPARGPPARDLMNATDP1 | |
| SCHEMBL19046101 | 0.73 | ALDH1A1 (0.45) | NPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL19030013 | 0.69 | ALDH1A1 (0.47) | SMN1; SMN2ALDH1A1LMNATDP1 | |
| SCHEMBL19046100 | 0.68 | ALDH1A1 (0.40) | SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL15274672 | 0.65 | LMNA (0.46) | NPC1RAB9AALDH1A1LMNATDP1 | |
| SCHEMBL18573967 | 0.63 | LMNA (0.44) | NPC1RAB9AALDH1A1LMNATDP1 | |
| SCHEMBL11422501 | 0.62 | RAB9A (0.40) | NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL5375326 | 0.62 | LMNA (0.49) | NPC1RAB9AALDH1A1LMNATDP1 | |
| SCHEMBL16369971 | 0.62 | LMNA (0.42) | NPC1RAB9AALDH1A1LMNATDP1 |
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-2017108723-A2 | PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-29 | — | — | WO | disclosed |