Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TYMP | P19971 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13984202 | 0.79 | KDM4E (0.50) | ALDH1A1MAPTGFERKDM4ERAB9A | |
| SCHEMBL9428319 | 0.79 | NPC1 (0.44) | ALDH1A1SMN1; SMN2MAPTHPGDGFER | |
| SCHEMBL16060197 | 0.79 | BTK (0.64) | SMN1; SMN2MAPTKDM4ENPC1RAB9A | |
| SCHEMBL7511341 | 0.77 | HDAC8 (0.47) | ALDH1A1MAPTKDM4EBTKMAPK14 | |
| SCHEMBL5507371 | 0.75 | NOTUM (0.44) | ALDH1A1SMN1; SMN2MAPTHPGDKDM4E | |
| SCHEMBL14027382 | 0.75 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HPGDKDM4EKMT2A | |
| SCHEMBL24317550 | 0.69 | NPC1 (0.47) | ALDH1A1SMN1; SMN2MAPTHPGDGFER | |
| SCHEMBL11180564 | 0.69 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MAPTHPGDGFER | |
| SCHEMBL17541741 | 0.68 | IDO1 (0.47) | SMN1; SMN2MAPTKDM4ENPC1RAB9A | |
| SCHEMBL8978650 | 0.67 | KDM4E (0.58) | ALDH1A1MAPTHPGDGFERKDM4E |
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-2009087218-A1 | THIAZOLTRIAZOLES AND THIAZOLIMIDAZOLES AS ANTAGONISTS OF THE MGLUR5 RECEPTOR | GLAXO GROUP LIMITED (GB) | 2009-07-16 | — | — | WO | disclosed |