Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | PRNP | P04156 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | NCF1 | P14598 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27721065 | 0.84 | MGAM (0.50) | ALDH1A1HSD17B10KDM4ECYP1A2MAPT | |
| SCHEMBL13947088 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HSD17B10KDM4ECYP1A2MAPT | |
| SCHEMBL9870690 | 0.77 | MGAM (0.48) | ALDH1A1HSD17B10KDM4ECYP1A2MAPT | |
| SCHEMBL29457163 | 0.76 | CYP1A2 (0.47) | ALDH1A1HSD17B10KDM4ECYP1A2MAPT | |
| SCHEMBL9682782 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HSD17B10KDM4ECYP1A2MAPT | |
| SCHEMBL30238578 | 0.76 | NCF1 (0.48) | ALDH1A1HSD17B10KDM4ECYP1A2MAPT | |
| SCHEMBL20559366 | 0.76 | NCF1 (0.48) | ALDH1A1HSD17B10KDM4ECYP1A2MAPT | |
| SCHEMBL28457794 | 0.76 | NCF1 (0.48) | ALDH1A1HSD17B10KDM4ECYP1A2MAPT | |
| SCHEMBL3636052 | 0.76 | NCF1 (0.48) | ALDH1A1HSD17B10KDM4ECYP1A2MAPT | |
| SCHEMBL29842330 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HSD17B10KDM4ECYP1A2MAPT |
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-2012021876-A2 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |