Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GRM5 | P41594 | 3/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21732278 | 1.00 | PIK3C3 (0.43) | PIK3C3ALDH1A1GRM5TAAR1SCN9A | |
| SCHEMBL21732255 | 0.85 | NTRK1 (0.48) | PIK3C3 | |
| SCHEMBL21723222 | 0.85 | NTRK1 (0.48) | PIK3C3 | |
| SCHEMBL21732252 | 0.85 | NTRK1 (0.48) | PIK3C3 | |
| SCHEMBL21732073 | 0.81 | MEN1 (0.42) | PIK3C3ALDH1A1GRM5SCN9ASMN1; SMN2 | |
| SCHEMBL21723233 | 0.76 | RIPK1 (0.39) | — | |
| SCHEMBL21732182 | 0.76 | RIPK1 (0.39) | — | |
| SCHEMBL12495130 | 0.72 | MAP4K4 (0.50) | — | |
| SCHEMBL24775407 | 0.70 | CHRNB2 (0.64) | ALDH1A1 | |
| SCHEMBL13162079 | 0.70 | CHRNB2 (0.64) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020035557-A1 | NOVEL HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA | LEO PHARMA A/S (DK) | 2020-02-20 | — | — | WO | disclosed |
| WO-2020035557-A1 | NOVEL HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA | LEO PHARMA A/S (DK) | 2020-02-20 | — | — | WO | disclosed |