Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | EDNRB | P24530 | 2/20 | 0.53 |
| ▸ | EDNRA | P25101 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9047137 | 0.93 | EDNRB (0.53) | ALDH1A1TP53EDNRBEDNRAPKM | |
| SCHEMBL9045267 | 0.85 | EDNRA (0.77) | ALDH1A1TP53EDNRBEDNRALMNA | |
| SCHEMBL9046709 | 0.81 | ALDH1A1 (0.60) | ALDH1A1EDNRBEDNRAMAPTMEN1 | |
| SCHEMBL9046230 | 0.81 | EDNRA (0.53) | ALDH1A1EDNRBEDNRATSHRLMNA | |
| SCHEMBL9046070 | 0.81 | EDNRB (0.53) | ALDH1A1EDNRBEDNRAPKMTSHR | |
| SCHEMBL9044301 | 0.80 | KDM1A (0.54) | EDNRBEDNRATSHR | |
| SCHEMBL9044255 | 0.80 | ALDH1A1 (0.56) | ALDH1A1EDNRBEDNRATSHRMAPT | |
| SCHEMBL9046378 | 0.79 | EDNRA (0.57) | ALDH1A1EDNRBEDNRATSHRMAPT | |
| SCHEMBL9495682 | 0.79 | EDNRB (0.59) | ALDH1A1EDNRBEDNRATSHRMAPT | |
| SCHEMBL9043560 | 0.79 | EDNRA (0.59) | ALDH1A1EDNRBEDNRATSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5270313-A | Treatment of circulatory disorders | HOFFMANN-LA ROCHE INC. (US) | 1993-12-14 | — | — | US | disclosed |