Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.40 |
| ▸ | DPP9 | Q86TI2 | 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 | |
|---|---|---|---|---|
| SCHEMBL8914161 | 0.80 | SPHK2 (0.43) | ALDH1A1ADRA1AHRH1ADRA1BHRH3 | |
| SCHEMBL3551208 | 0.74 | SLC6A3 (0.43) | ALDH1A1SIGMAR1SLC6A3 | |
| SCHEMBL14417567 | 0.70 | SLC6A3 (0.46) | ALDH1A1ADRA1AHRH1ADRA1BHRH3 | |
| SCHEMBL22623871 | 0.70 | SLC6A3 (0.48) | ALDH1A1SIGMAR1SLC6A3 | |
| SCHEMBL15759288 | 0.70 | SLC6A3 (0.48) | ALDH1A1SIGMAR1SLC6A3 | |
| SCHEMBL1817630 | 0.69 | MAOA (0.60) | ALDH1A1KDM4EHPGDSIGMAR1KMT2A | |
| SCHEMBL2029008 | 0.69 | MAOA (0.60) | ALDH1A1KDM4EHPGDSIGMAR1KMT2A | |
| SCHEMBL13832737 | 0.69 | EED (0.51) | ALDH1A1KDM4EHPGDHRH3 | |
| SCHEMBL16207902 | 0.69 | SMN1; SMN2 (0.36) | ALDH1A1 | |
| SCHEMBL21676666 | 0.69 | CHRNB2 (0.38) | — |
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-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |