Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.57 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.55 |
| ▸ | F10 | P00742 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL12660139 | 0.87 | KDM4E (0.64) | GAAALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL16582078 | 0.87 | ALDH1A1 (0.64) | GAAALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL14174789 | 0.86 | ALDH1A1 (0.67) | GAAALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL4592012 | 0.86 | KDM4E (0.63) | GAAALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL4739633 | 0.86 | KDM4E (0.63) | GAAALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL518686 | 0.85 | NPC1 (0.71) | GAAALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL2073212 | 0.85 | DRD2 (0.60) | GAAALDH1A1KDM4EHRH3DRD2 | |
| SCHEMBL24274178 | 0.84 | KDM4E (0.65) | GAAALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL27833008 | 0.84 | KDM4E (0.65) | GAAALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL1892346 | 0.84 | ALDH1A1 (0.61) | GAAALDH1A1KDM4ENPC1RAB9A |
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 |