Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.52 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.52 |
| ▸ | CDK1 | P06493 | 1/20 | 0.52 |
| ▸ | CSF1R | P07333 | 1/20 | 0.52 |
| ▸ | PRKACA | P17612 | 1/20 | 0.52 |
| ▸ | FLT1 | P17948 | 1/20 | 0.52 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | AKT1 | P31749 | 1/20 | 0.52 |
| ▸ | FLT4 | P35916 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.52 |
| ▸ | FLT3 | P36888 | 1/20 | 0.52 |
| ▸ | GSK3A | P49840 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3889347 | 0.88 | ALDH1A1 (0.57) | ALDH1A1LMNANPC1SMN1; SMN2MAPK1 | |
| SCHEMBL3889350 | 0.88 | ALDH1A1 (0.57) | ALDH1A1LMNANPC1SMN1; SMN2MAPK1 | |
| SCHEMBL7946598 | 0.87 | ALDH1A1 (0.54) | ALDH1A1LMNANPC1SMN1; SMN2GPR139 | |
| SCHEMBL27810867 | 0.87 | ALDH1A1 (0.72) | ALDH1A1LMNANPC1SMN1; SMN2GPR139 | |
| SCHEMBL13229354 | 0.87 | GPR139 (0.64) | ALDH1A1LMNANPC1SMN1; SMN2GPR139 | |
| SCHEMBL13229107 | 0.84 | ALDH1A1 (0.73) | ALDH1A1LMNANPC1SMN1; SMN2GPR139 | |
| SCHEMBL13229317 | 0.83 | ALDH1A1 (0.52) | ALDH1A1LMNANPC1SMN1; SMN2GPR139 | |
| SCHEMBL8154920 | 0.83 | GPR139 (0.57) | ALDH1A1LMNANPC1SMN1; SMN2GPR139 | |
| SCHEMBL7943614 | 0.83 | ALDH1A1 (0.56) | ALDH1A1LMNANPC1SMN1; SMN2MAPK1 | |
| SCHEMBL12111988 | 0.82 | ALDH1A1 (0.54) | ALDH1A1LMNANPC1SMN1; SMN2MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017066742-A1 | BACE-2 INHIBITORY COMPOUNDS AND RELATED METHODS OF USE | JORTAN PHARMACEUTICALS INC. (US) | 2017-04-20 | — | — | WO | disclosed |
| WO-2010042030-A1 | ASPARTYL PROTEASE INHIBITORS | MEDIVIR AB (SE) | 2010-04-15 | — | — | WO | disclosed |