Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | RORB | Q92753 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL12465871 | 0.98 | MAOB (0.49) | MAPK1TSHRMAOBKDM1AKIF11 | |
| SCHEMBL1263144 | 0.79 | TSHR (0.58) | MAPK1TSHRMAOBKDM1AKIF11 | |
| SCHEMBL29678302 | 0.79 | TSHR (0.58) | MAPK1TSHRMAOBKDM1AKIF11 | |
| Ammonia Solution, Strong SCHEMBL20472961 | 0.77 | MAOB (0.56) | MAPK1TSHRMAOBKDM1AKIF11 | |
| SCHEMBL3789224 | 0.76 | TSHR (0.76) | MAPK1TSHRMAOBKDM1AKIF11 | |
| Hydrochloric Acid SCHEMBL12465771 | 0.75 | TAAR1 (0.53) | ALDH1A1ADORA2ANOTUMKDM4EMEN1 | |
| SCHEMBL3793159 | 0.74 | MAOB (0.65) | MAPK1TSHRMAOBKDM1AKIF11 | |
| SCHEMBL24342416 | 0.74 | TSHR (0.50) | MAPK1TSHRMAOBKDM1AKIF11 | |
| SCHEMBL474410 | 0.73 | LTA4H (0.67) | ALDH1A1XDHLTA4HRAB9AAR | |
| SCHEMBL307920 | 0.73 | KIF11 (0.62) | MAPK1TSHRMAOBKDM1AKIF11 |
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-2012100732-A1 | RETINOID-RELATED ORPHAN RECEPTOR GAMMA MODULATORS, COMPOSITION CONTAINING THEM AND USES THEREOF | GLAXO GROUP LIMITED (GB) | 2012-08-02 | — | — | WO | disclosed |