Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.33 |
| ▸ | HPGD | P15428 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8057108 | 0.87 | MEN1 (0.34) | DRD2ALDH1A1TSHRKDM4EHPGD | |
| SCHEMBL8056239 | 0.79 | SLC9A1 (0.39) | — | |
| SCHEMBL8060801 | 0.79 | CTSL (0.34) | ALDH1A1TSHRKDM4EHPGDMAPT | |
| SCHEMBL8058091 | 0.79 | TSHR (0.34) | ALDH1A1TSHRKDM4EHPGDMAPT | |
| SCHEMBL8045118 | 0.76 | LMNA (0.40) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| SCHEMBL8060675 | 0.76 | TSHR (0.34) | ALDH1A1TSHRKDM4EHPGDMAPT | |
| SCHEMBL8060881 | 0.76 | ALDH1A1 (0.35) | ALDH1A1TSHRKDM4EHPGDMAPT | |
| SCHEMBL8062888 | 0.76 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| SCHEMBL8056335 | 0.75 | ALDH1A1 (0.35) | DRD2ALDH1A1TSHRKDM4EHPGD | |
| SCHEMBL8060805 | 0.74 | RXRA (0.33) | ALDH1A1TSHRKDM4EHPGDMAPT |
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-6028069-A | Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter | MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) | 2000-02-22 | — | — | US | disclosed |