Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | MYC | P01106 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27860915 | 0.81 | ALDH1A1 (0.60) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL10336028 | 0.79 | KDM4E (0.66) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL30675634 | 0.78 | ALDH1A1 (0.70) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL305252 | 0.78 | ALDH1A1 (0.70) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL5323103 | 0.78 | KDM4E (0.55) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL7929322 | 0.78 | KDM4E (0.55) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL5323099 | 0.78 | KDM4E (0.55) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL28496827 | 0.77 | ALDH1A1 (0.68) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| Bicarbonate SCHEMBL4612198 | 0.77 | ALDH1A1 (0.68) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL9183165 | 0.77 | ALDH1A1 (0.68) | ALDH1A1KDM4EHPGDHSD17B10MYC |
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 |