Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.39 |
| ▸ | AKT1 | P31749 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.37 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.36 |
| ▸ | PRKCG | P05129 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8844341 | 0.74 | LMNA (0.43) | ALDH1A1RAB9A | |
| SCHEMBL8843638 | 0.72 | HIF1A (0.43) | ALDH1A1RAB9AMAPTGAACDC7 | |
| SCHEMBL28264986 | 0.68 | SIGMAR1 (0.58) | ALDH1A1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL7348202 | 0.68 | ALDH1A1 (0.56) | ALDH1A1RAB9A | |
| SCHEMBL8065316 | 0.68 | ALDH1A1 (0.64) | ALDH1A1RAB9AMAPTGAAKDM4E | |
| SCHEMBL7348196 | 0.68 | ALDH1A1 (0.56) | ALDH1A1RAB9A | |
| SCHEMBL9554646 | 0.68 | ALDH1A1 (0.64) | ALDH1A1RAB9AMAPTGAAKDM4E | |
| SCHEMBL19664705 | 0.68 | CPA1 (0.49) | ALDH1A1CYP3A4 | |
| SCHEMBL6320472 | 0.68 | SMN1; SMN2 (0.54) | ALDH1A1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL8843072 | 0.68 | NPC1 (0.43) | ALDH1A1RAB9AGAASMN1; SMN2 |
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-2008033745-A2 | FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY | CURIS, INC. (US) | 2008-03-20 | — | — | WO | disclosed |