Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.36 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | QDPR | P09417 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL13865337 | 0.82 | CHRM2 (0.36) | NCF1GNAI3GNAO1GNAI1PLG | |
| SCHEMBL18888395 | 0.80 | GNAI3 (0.33) | GNAI3GNAO1GNAI1 | |
| SCHEMBL13865338 | 0.77 | CHRM2 (0.50) | NCF1GNAI3GNAO1GNAI1PLG | |
| SCHEMBL2735017 | 0.76 | GNAI3 (0.50) | NCF1GNAI3GNAO1GNAI1RIPK1 | |
| SCHEMBL13865336 | 0.75 | CHRM2 (0.44) | NCF1GNAI3GNAO1GNAI1SMN1; SMN2 | |
| SCHEMBL16142537 | 0.74 | GNAI3 (0.41) | NCF1GNAI3GNAO1GNAI1RIPK1 | |
| SCHEMBL9965910 | 0.74 | GNAI3 (0.48) | NCF1GNAI3GNAO1GNAI1RIPK1 | |
| SCHEMBL19343096 | 0.74 | GNAI3 (0.48) | NCF1GNAI3GNAO1GNAI1RIPK1 | |
| SCHEMBL13865341 | 0.73 | CHRM2 (0.43) | NCF1GNAI3GNAO1GNAI1SMN1; SMN2 | |
| SCHEMBL25584696 | 0.73 | — | — |
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-3044223-B1 | 2,3-DIHYDRO-1H-INDEN-1-ONE DERIVATIVES AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA) ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS | ARRIEN PHARMACEUTICALS LLC (US) | 2020-04-01 | — | — | EP | disclosed |