Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | F2R | P25116 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30245609 | 1.00 | ALDH1A1 (0.44) | ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H | |
| SCHEMBL25261051 | 0.98 | ALDH1A1 (0.45) | ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H | |
| SCHEMBL30245846 | 0.98 | ALDH1A1 (0.45) | ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H | |
| SCHEMBL30245107 | 0.96 | ALDH1A1 (0.45) | ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H | |
| SCHEMBL30245492 | 0.96 | ALDH1A1 (0.43) | ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H | |
| SCHEMBL25291359 | 0.96 | ALDH1A1 (0.43) | ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H | |
| SCHEMBL25298289 | 0.95 | DRD2 (0.44) | ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H | |
| SCHEMBL30245483 | 0.95 | DRD2 (0.44) | ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H | |
| SCHEMBL30245058 | 0.95 | ALDH1A1 (0.47) | ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H | |
| SCHEMBL25254085 | 0.94 | ALDH1A1 (0.43) | ALDH1A1TSHRSMN1; SMN2NPSR1LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023018472-A9 | AMINOARYL-INTEGRIN AGONISTS COMPOUNDS | TEXAS HEART INSTITUTE (US) | 2023-07-13 | — | — | WO | disclosed |