Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD5 | P21918 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL13162103 | 0.79 | CHRNB2 (0.66) | ALDH1A1MAPTCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9273128 | 0.77 | CHRNB2 (0.53) | MAOBMAOACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL6560857 | 0.76 | RIPK1 (0.42) | ALDH1A1GAAMAOBDRD2DRD4 | |
| SCHEMBL24775490 | 0.75 | DRD2 (0.46) | ALDH1A1MAOBDRD2DRD1DRD4 | |
| SCHEMBL27111350 | 0.75 | DRD2 (0.46) | ALDH1A1MAOBDRD2DRD1DRD4 | |
| SCHEMBL24775063 | 0.75 | DRD2 (0.46) | ALDH1A1GAAMAOBDRD2DRD1 | |
| SCHEMBL14948763 | 0.74 | CHRNB2 (0.59) | ALDH1A1MAOBDRD2DRD1DRD4 | |
| Hydrochloric Acid SCHEMBL28938994 | 0.73 | ALDH1A1 (0.47) | ALDH1A1GAAMAOBDRD2DRD1 | |
| SCHEMBL6560000 | 0.72 | PRMT5 (0.40) | ALDH1A1MAOBDRD2DRD4DRD3 | |
| SCHEMBL21034433 | 0.72 | TRPA1 (0.45) | ALDH1A1GAAMAOBDRD2DRD1 |
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-3209664-B1 | BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-06-03 | — | — | EP | disclosed |