Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 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 | |
|---|---|---|---|---|
| SCHEMBL9857756 | 1.00 | ALDH1A1 (0.45) | ALDH1A1MAPTSMN1; SMN2PTGS1CES2 | |
| SCHEMBL28728329 | 0.79 | TSHR (0.44) | ALDH1A1MAPTCES2CES1KMT2A | |
| SCHEMBL7551804 | 0.74 | SMN1; SMN2 (0.49) | ALDH1A1MAPTSMN1; SMN2PTGS1CES2 | |
| SCHEMBL27882775 | 0.70 | SMN1; SMN2 (0.53) | ALDH1A1MAPTSMN1; SMN2PTGS1CES2 | |
| SCHEMBL9525610 | 0.70 | SIGMAR1 (0.44) | ALDH1A1MAPTSMN1; SMN2PTGS1CES2 | |
| SCHEMBL9525605 | 0.70 | SIGMAR1 (0.44) | ALDH1A1MAPTSMN1; SMN2PTGS1CES2 | |
| SCHEMBL2459083 | 0.70 | ALDH1A1 (0.58) | ALDH1A1MAPTSMN1; SMN2PTGS1CES2 | |
| SCHEMBL10606928 | 0.69 | CYP1B1 (0.40) | ALDH1A1SMN1; SMN2CES2CES1KMT2A | |
| SCHEMBL3857938 | 0.69 | SMN1; SMN2 (0.55) | ALDH1A1MAPTSMN1; SMN2PTGS1CES2 | |
| SCHEMBL1384938 | 0.69 | SMN1; SMN2 (0.55) | ALDH1A1MAPTSMN1; SMN2PTGS1CES2 |
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 |