Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.32 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CTH | P32929 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.30 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.30 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12130484 | 0.84 | GABRR1 (0.38) | GABRR1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL26152774 | 0.84 | GABRR1 (0.38) | GABRR1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL26338020 | 0.84 | ALDH1A1 (0.37) | GABRR1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL6818831 | 0.84 | HCAR2 (0.38) | GABRR1ALDH1A1LMNA | |
| SCHEMBL8925042 | 0.82 | GABRR1 (0.32) | GABRR1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL22652535 | 0.82 | GABRR1 (0.37) | GABRR1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL26338449 | 0.82 | CA12 (0.42) | GABRR1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7074330 | 0.80 | ALDH1A1 (0.50) | ALDH1A1MAPTCYP1A2LMNA | |
| SCHEMBL15246058 | 0.80 | GABRR1 (0.37) | GABRR1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL4761871 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3770225-A1 | AQUEOUS INK COMPOSITION, INK SET, AND IMAGE FORMING METHOD | Fujifilm Corporation (JP) | 2021-01-27 | — | — | EP | disclosed |