Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24331648 | 0.98 | ALDH1A1 (0.50) | ALDH1A1HTTGAAMAPTHPGD | |
| SCHEMBL13719453 | 0.80 | GAA (0.50) | ALDH1A1HTTGAAMAPTSMN1; SMN2 | |
| SCHEMBL11271064 | 0.80 | KDM4E (0.47) | ALDH1A1MAPTSMN1; SMN2L3MBTL1MAPK1 | |
| SCHEMBL24712401 | 0.79 | GAA (0.45) | ALDH1A1HTTGAAMAPTSMN1; SMN2 | |
| SCHEMBL20327046 | 0.79 | KDM4E (0.53) | ALDH1A1HTTMAPTSMN1; SMN2EGFR | |
| SCHEMBL29641984 | 0.78 | GAA (0.48) | ALDH1A1HTTGAAMAPTSMN1; SMN2 | |
| SCHEMBL11274698 | 0.78 | ALDH1A1 (0.38) | ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL20314964 | 0.78 | GAA (0.44) | ALDH1A1HTTGAAMAPTHPGD | |
| SCHEMBL17777792 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HTTGAAMAPTSMN1; SMN2 | |
| SCHEMBL20994019 | 0.77 | GAA (0.46) | ALDH1A1HTTGAAMAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4273781-A | Treatment of pain, fever, and inflammation with compositions containing piperidinobutan-and 3-buten-2-ones | MERCK & CO., INC. (US) | 1981-06-16 | — | — | US | claimed |
| US-4316903-A | BACTERICIDES AND FUNGICIDES | MERCK & CO., INC. (US) | 1982-02-23 | — | — | US | disclosed |
| US-4273781-A | Treatment of pain, fever, and inflammation with compositions containing piperidinobutan-and 3-buten-2-ones | MERCK & CO., INC. (US) | 1981-06-16 | — | — | US | disclosed |
| US-4250184-A | ANTIARTHRITIC AGENTS; SKIN DISORDERS; GOUT; RHEUMATIC DISEASES | MERCK & CO., INC. (US) | 1981-02-10 | — | — | US | disclosed |
| US-4145426-A | FUNGICIDES, BACTERICIDES | MERCK & CO., INC. (US) | 1979-03-20 | — | — | US | disclosed |