Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.41 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6685005 | 0.83 | ALDH1A1 (0.57) | ALDH1A1ASAH1ACER2LMNAMEN1 | |
| SCHEMBL27261976 | 0.83 | ALDH1A1 (0.57) | ALDH1A1ASAH1ACER2LMNAMEN1 | |
| SCHEMBL317513 | 0.82 | S1PR2 (0.43) | ALDH1A1ASAH1LMNACHRM2ADRA2C | |
| SCHEMBL6683661 | 0.81 | ALDH1A1 (0.55) | ALDH1A1ASAH1ACER2LMNAMEN1 | |
| SCHEMBL317890 | 0.80 | S1PR2 (0.41) | ALDH1A1ASAH1LMNACHRM2ADRA2C | |
| SCHEMBL5746668 | 0.80 | LMNA (0.43) | ALDH1A1ASAH1ACER2LMNAMEN1 | |
| SCHEMBL10746726 | 0.79 | SLC2A1 (0.36) | ALDH1A1LMNAMEN1KMT2ANPSR1 | |
| SCHEMBL5265204 | 0.79 | SLC2A1 (0.36) | ALDH1A1LMNAMEN1KMT2ANPSR1 | |
| SCHEMBL10357844 | 0.77 | NR1I2 (0.46) | ALDH1A1LMNATSHROPRM1CSNK1E | |
| SCHEMBL12982442 | 0.77 | OPRM1 (0.37) | ALDH1A1TP53OPRM1SPHK1GPR84 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5137653-A | Alkanoyl ester compounds and their intermediates and method of producing the same | NIPPON MINING CO., LTD. (JP) | 1992-08-11 | — | — | US | disclosed |
| EP-0311692-B1 | NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION | NIPPON MINING COMPANY LIMITED (JP) | 1992-07-08 | — | — | EP | disclosed |
| EP-0311692-A1 | NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION | NIPPON MINING COMPANY LIMITED (JP) | 1989-04-19 | — | — | EP | disclosed |