Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HTT | P42858 | 6/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | OGT | O15294 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RNF4 | P78317 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL5967138 | 0.82 | CYP1A2 (0.46) | MEN1KMT2ACNR1CNR2MAPK1 | |
| SCHEMBL2065478 | 0.81 | MEN1 (0.50) | ALDH1A1HTTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL9354938 | 0.81 | CNR1 (0.42) | ALDH1A1HTTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL3901654 | 0.78 | LMNA (0.48) | HTTSMN1; SMN2MEN1KMT2ACNR1 | |
| SCHEMBL31322256 | 0.75 | CYP2C19 (0.42) | ALDH1A1HTTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL6599652 | 0.74 | SMN1; SMN2 (0.51) | ALDH1A1HTTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL11409037 | 0.72 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2ALMNAKDM4E | |
| SCHEMBL11409035 | 0.72 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2ALMNAKDM4E | |
| SCHEMBL1389497 | 0.71 | KIF11 (0.47) | ALDH1A1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL2067960 | 0.71 | IDO1 (0.46) | RAB9ANPC1MEN1KMT2AHIF1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5068248-A | Analgesics, antipyretics and antiinflammatory agents | MERCK & CO., INC. (US) | 1991-11-26 | — | — | US | disclosed |
| EP-0160408-B1 | BENZOTHIOPHENES, THEIR PRODUCTION AND USE, AND COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1989-08-23 | — | — | EP | disclosed |
| US-4760086-A | N-alkenyl-3-hydroxybenzo[b]thiophene-2-carboxamide derivatives as dual cyclooxygenase and lipoxygenase inhibitors | MERCK & CO., INC. (US) | 1988-07-26 | — | — | US | disclosed |
| EP-0160408-A1 | Benzothiophenes, their production and use, and compositions containing them | MERCK & CO. INC. (US) | 1985-11-06 | — | — | EP | disclosed |