Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | F2R | P25116 | 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 | |
|---|---|---|---|---|
| SCHEMBL30245178 | 1.00 | ALDH1A1 (0.47) | ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2 | |
| SCHEMBL30245434 | 0.95 | ALDH1A1 (0.48) | ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2 | |
| SCHEMBL29194657 | 0.95 | ALDH1A1 (0.48) | ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2 | |
| SCHEMBL30245040 | 0.94 | ALDH1A1 (0.53) | ALDH1A1TSHRSMN1; SMN2NPSR1HRH3 | |
| SCHEMBL30245096 | 0.92 | ALDH1A1 (0.43) | ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2 | |
| SCHEMBL29194551 | 0.92 | ALDH1A1 (0.43) | ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2 | |
| SCHEMBL25259444 | 0.90 | ALDH1A1 (0.45) | ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2 | |
| SCHEMBL30244912 | 0.90 | ALDH1A1 (0.45) | ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2 | |
| SCHEMBL30245128 | 0.90 | ALDH1A1 (0.50) | ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2 | |
| SCHEMBL30245373 | 0.89 | ALDH1A1 (0.53) | ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117916237-A | Amino aryl integrin agonist compounds | 德克萨斯心脏研究所 | 2024-04-19 | — | — | CN | claimed |
| CN-117916237-A | Amino aryl integrin agonist compounds | 德克萨斯心脏研究所 | 2024-04-19 | — | — | CN | disclosed |