Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | CAMK1D | Q8IU85 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11612466 | 0.88 | ALDH1A1 (0.36) | ALDH1A1NPSR1 | |
| SCHEMBL11601915 | 0.87 | ALDH1A1 (0.43) | ALDH1A1NPSR1HDAC6RETMAPK14 | |
| SCHEMBL11466770 | 0.87 | ALDH1A1 (0.43) | ALDH1A1NPSR1HDAC6RETMAPK14 | |
| SCHEMBL5171332 | 0.86 | ALDH1A1 (0.47) | ALDH1A1NPSR1HDAC6RETMAPK14 | |
| SCHEMBL11519266 | 0.85 | ALDH1A1 (0.41) | ALDH1A1NPSR1 | |
| SCHEMBL11519524 | 0.81 | ALDH1A1 (0.46) | ALDH1A1NPSR1RETMAPK14CAMK1D | |
| SCHEMBL2998411 | 0.80 | CYP2C19 (0.41) | ALDH1A1NPSR1 | |
| SCHEMBL6142600 | 0.78 | ALDH1A1 (0.47) | ALDH1A1NPSR1 | |
| SCHEMBL18503901 | 0.78 | ALDH1A1 (0.47) | ALDH1A1NPSR1 | |
| SCHEMBL15861494 | 0.78 | ALDH1A1 (0.43) | ALDH1A1NPSR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4091020-A | CONDENSATION, CATALYTIC DECARBOXYLATION | MERCK & CO., INC. (US) | 1978-05-23 | — | — | US | disclosed |
| US-4065497-A | MICROBIOCIDES, ALGICIDES | MERCK & CO., INC. (US) | 1977-12-27 | — | — | US | disclosed |
| US-4058625-A | Broad spectrum antimicrobial compositions containing tris-(hydroxymethyl)aminomethane and polyamines | MERCK & CO., INC. (US) | 1977-11-15 | — | — | US | disclosed |
| US-4035174-A | MICROBIOCIDES | MERCK & CO., INC. (US) | 1977-07-12 | — | — | US | disclosed |
| US-4033748-A | MICROBIOCIDES | MERCK & CO., INC. (US) | 1977-07-05 | — | — | US | disclosed |
| US-4003934-A | ANTIMICROBIAL AGENTS, ALGAE INHIBITORS | MERCK & CO., INC. (US) | 1977-01-18 | — | — | US | disclosed |