Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ADAMTS5 | Q9UNA0 | 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 | |
|---|---|---|---|---|
| SCHEMBL7381763 | 0.78 | ADAMTS5 (0.44) | ALDH1A1TDP1SMN1; SMN2MAPTHPGD | |
| SCHEMBL3440132 | 0.76 | KDM4E (0.43) | ALDH1A1TDP1SMN1; SMN2MAPTHPGD | |
| SCHEMBL26334691 | 0.74 | VHL (0.48) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL1398189 | 0.72 | ADAMTS5 (0.43) | ALDH1A1TDP1SMN1; SMN2MAPTNPC1 | |
| SCHEMBL874455 | 0.72 | ADAMTS5 (0.54) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL27668286 | 0.72 | MAPK1 (0.45) | ALDH1A1SMN1; SMN2MAPTHPGDNPC1 | |
| SCHEMBL13208839 | 0.71 | HSD17B10 (0.45) | ALDH1A1SMN1; SMN2MAPTHPGDNPC1 | |
| SCHEMBL2090920 | 0.71 | RAB9A (0.59) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL16373557 | 0.71 | MAPK1 (0.44) | ALDH1A1SMN1; SMN2MAPTHPGDNPC1 | |
| SCHEMBL5176375 | 0.70 | SMN1; SMN2 (0.49) | ALDH1A1SMN1; SMN2HDAC3 |
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-2003018546-A2 | TRICYCLIC PYRIDIN-2-ONE ANALOGUES AS LIGANDS FOR GABA-A RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2003-03-06 | — | — | WO | disclosed |