Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.54 |
| ▸ | BPTF | Q12830 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12513635 | 0.85 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL30089449 | 0.84 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL6944257 | 0.84 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL2673348 | 0.84 | CXCR4 (0.47) | ALDH1A1SMN1; SMN2SIGMAR1BPTFCXCR4 | |
| SCHEMBL18105383 | 0.83 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL6524716 | 0.82 | CXCR4 (0.58) | ALDH1A1MEN1KMT2ADRD2DRD4 | |
| SCHEMBL29767413 | 0.82 | MAPT (0.72) | ALDH1A1SMN1; SMN2SIGMAR1DRD2DRD4 | |
| SCHEMBL16226986 | 0.82 | ALDH1A1 (0.82) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL8552073 | 0.81 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 | |
| SCHEMBL12013927 | 0.81 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |