Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GGPS1 | O95749 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14580744 | 0.91 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL21689253 | 0.89 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL20298545 | 0.89 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL833730 | 0.87 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL15563344 | 0.86 | GGPS1 (0.49) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL28084013 | 0.86 | GGPS1 (0.49) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| Iodide SCHEMBL30985992 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| Hydrochloric Acid SCHEMBL11419454 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL15666057 | 0.84 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRTDP1CA2 | |
| SCHEMBL27736475 | 0.84 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TSHRTDP1CA2 |
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-3461893-B1 | PREPARATION OF LIBRARIES OF PROTEIN VARIANTS EXPRESSED IN EUKARYOTIC CELLS AND USE FOR SELECTING BINDING MOLECULES | IONTAS LTD (GB) | 2020-07-08 | — | — | EP | disclosed |