Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | BLM | P54132 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | FYN | P06241 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | APEX1 | P27695 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | MTOR | P42345 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11603001 | 0.99 | ALDH1A1 (0.55) | ALDH1A1HSD17B10KDM4EPOLBGAA | |
| SCHEMBL13633144 | 0.80 | POLB (0.50) | ALDH1A1HSD17B10KDM4EPOLBSMN1; SMN2 | |
| SCHEMBL11602613 | 0.79 | MAPT (0.51) | ALDH1A1HSD17B10KDM4EPOLBGAA | |
| SCHEMBL11600298 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HSD17B10KDM4EPOLBGAA | |
| SCHEMBL11602317 | 0.79 | BLM (0.51) | ALDH1A1HSD17B10KDM4EPOLBGAA | |
| Hydrochloric Acid SCHEMBL11600459 | 0.78 | MAPT (0.50) | ALDH1A1HSD17B10KDM4EPOLBGAA | |
| Hydrochloric Acid SCHEMBL11601519 | 0.78 | BLM (0.50) | ALDH1A1HSD17B10KDM4EPOLBGAA | |
| SCHEMBL22862697 | 0.75 | ALDH1A1 (0.65) | ALDH1A1HSD17B10KDM4EPOLBGAA | |
| SCHEMBL22862586 | 0.74 | SMN1; SMN2 (0.50) | ALDH1A1HSD17B10KDM4EPOLBGAA | |
| SCHEMBL13156353 | 0.73 | POLB (0.53) | ALDH1A1HSD17B10KDM4EPOLBSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4073929-A | HYPOTENSIVE AGENTS | MERCK & CO., INC. (US) | 1978-02-14 | — | — | US | disclosed |
| US-4069333-A | 2-HYDRAZINO-3-PHENYLPROPIONIC ACID DECARBOXYLASE INHIBITORS, BENZOXAZOLE ANALINES | MERCK & CO., INC. (US) | 1978-01-17 | — | — | US | disclosed |