Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30245030 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2 | |
| SCHEMBL30245654 | 0.98 | ALDH1A1 (0.44) | ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2 | |
| SCHEMBL29194594 | 0.98 | ALDH1A1 (0.44) | ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2 | |
| SCHEMBL25290109 | 0.97 | ALDH1A1 (0.42) | ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2 | |
| SCHEMBL30245666 | 0.97 | ALDH1A1 (0.42) | ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2 | |
| SCHEMBL30245104 | 0.97 | ALDH1A1 (0.42) | ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2 | |
| SCHEMBL29194448 | 0.97 | ALDH1A1 (0.42) | ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2 | |
| SCHEMBL25297857 | 0.95 | ALDH1A1 (0.41) | ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2 | |
| SCHEMBL25298251 | 0.95 | ALDH1A1 (0.43) | ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2 | |
| SCHEMBL25298164 | 0.95 | ALDH1A1 (0.43) | ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2 |
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 |