Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 4/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4286038 | 1.00 | ALDH1A1 (0.41) | ALDH1A1GAAKDM1AATMHSD11B1 | |
| SCHEMBL4289486 | 0.84 | HDAC4 (0.38) | ALDH1A1GAAHDAC4HDAC7HDAC5 | |
| SCHEMBL5428407 | 0.82 | IDO1 (0.43) | ALDH1A1GAAHSD11B1 | |
| SCHEMBL177088 | 0.81 | ALDH1A1 (0.41) | ALDH1A1GAAKDM1AATMANPEP | |
| SCHEMBL2699779 | 0.81 | ALDH1A1 (0.41) | ALDH1A1GAAKDM1AATMANPEP | |
| SCHEMBL4758031 | 0.81 | ALDH1A1 (0.41) | ALDH1A1GAAKDM1AATMANPEP | |
| SCHEMBL3092977 | 0.81 | ALDH1A1 (0.41) | ALDH1A1GAAKDM1AATMANPEP | |
| SCHEMBL177215 | 0.81 | ALDH1A1 (0.41) | ALDH1A1GAAKDM1AATMANPEP | |
| SCHEMBL562899 | 0.81 | KDM1A (0.42) | ALDH1A1GAAKDM1AATMHTR2A | |
| SCHEMBL10002494 | 0.81 | ALDH1A1 (0.41) | ALDH1A1GAAKDM1AATMANPEP |
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-2009152824-A1 | HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS | NUEVOLUTION A/S (DK) | 2009-12-23 | — | — | WO | disclosed |