Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.35 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.34 |
| ▸ | F2R | P25116 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13170477 | 0.77 | SIGMAR1 (0.44) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL18754699 | 0.77 | ESR1 (0.37) | LMNAHTTCYP2D6 | |
| SCHEMBL18977385 | 0.75 | GABRA1 (0.44) | GABRA1GABRB2CLCN2F2RALDH1A1 | |
| SCHEMBL8459305 | 0.72 | GABRA1 (0.41) | GABRA1GABRB2CLCN2F2RALDH1A1 | |
| SCHEMBL29101876 | 0.72 | GABRA1 (0.41) | GABRA1GABRB2CLCN2F2RALDH1A1 | |
| SCHEMBL14379912 | 0.71 | MEN1 (0.35) | CLCN2ALDH1A1LMNAHTT | |
| SCHEMBL721894 | 0.71 | GABRA1 (0.44) | GABRA1GABRB2CLCN2F2RALDH1A1 | |
| SCHEMBL29396009 | 0.71 | GABRA1 (0.44) | GABRA1GABRB2CLCN2F2RALDH1A1 | |
| SCHEMBL6546236 | 0.71 | GABRA1 (0.48) | GABRA1GABRB2CLCN2F2RALDH1A1 | |
| SCHEMBL27367606 | 0.71 | GABRA1 (0.48) | GABRA1GABRB2CLCN2F2RALDH1A1 |
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-3214073-B1 | NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME | LT MATERIALS CO LTD (KR) | 2021-03-10 | — | — | EP | disclosed |