Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | LIPA | P38571 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8608076 | 0.80 | ALDH1A1 (0.51) | ALDH1A1MAPTRECQLATMGAA | |
| SCHEMBL5697639 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MAPTRECQLATMGAA | |
| SCHEMBL7724547 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPTRECQLATMGAA | |
| SCHEMBL2657093 | 0.74 | SMN1; SMN2 (0.49) | ALDH1A1MAPTRECQLATMGAA | |
| SCHEMBL14436583 | 0.74 | SMN1; SMN2 (0.49) | ALDH1A1MAPTRECQLATMGAA | |
| SCHEMBL10267770 | 0.74 | SMN1; SMN2 (0.49) | ALDH1A1MAPTRECQLATMGAA | |
| SCHEMBL26311436 | 0.72 | ADRB2 (0.51) | ALDH1A1MAPTRECQLATMGAA | |
| SCHEMBL17516238 | 0.72 | HRH3 (0.45) | ALDH1A1MAPTRECQLATMGAA | |
| SCHEMBL5697623 | 0.72 | ALDH1A1 (0.43) | ALDH1A1MAPTRECQLATMGAA | |
| SCHEMBL12938404 | 0.70 | ALDH1A1 (0.43) | ALDH1A1MAPTRECQLATMGAA |
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-2521711-B1 | QUATERNARY AMMONIUM SALT PRODRUGS | ALKERMES PHARMA IRELAND LTD (IE) | 2017-08-16 | — | — | EP | disclosed |