Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.72 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| Diethyl Pyrocarbonate SCHEMBL8342707 | 0.92 | SOAT1 (0.79) | ALDH1A1SOAT1HSD17B10LMNATSHR | |
| SCHEMBL2161093 | 0.89 | — | — | |
| SCHEMBL2308025 | 0.86 | SOAT1 (0.70) | ALDH1A1SOAT1HSD17B10LMNATSHR | |
| Hydrochloric Acid SCHEMBL28762476 | 0.86 | SOAT1 (0.70) | ALDH1A1SOAT1HSD17B10LMNATSHR | |
| SCHEMBL27651053 | 0.86 | SOAT1 (0.70) | ALDH1A1SOAT1HSD17B10LMNATSHR | |
| SCHEMBL27269531 | 0.86 | SOAT1 (0.70) | ALDH1A1SOAT1HSD17B10LMNATSHR | |
| Ethyl Acetate SCHEMBL5454486 | 0.86 | ALDH1A1 (0.82) | ALDH1A1SOAT1HSD17B10LMNATSHR | |
| Butanone SCHEMBL27585307 | 0.86 | ALDH1A1 (0.77) | ALDH1A1SOAT1HSD17B10LMNATSHR | |
| Ethyl Acetate SCHEMBL10620330 | 0.86 | ALDH1A1 (0.82) | ALDH1A1SOAT1HSD17B10LMNATSHR | |
| SCHEMBL1332089 | 0.85 | — | — |
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-6841680-B2 | N-type calcium channel antagonists for the treatment of pain | ASTRAZENECA AB (SE) | 2005-01-11 | — | — | US | claimed |
| US-4104402-A | BRONCHODILATORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1978-08-01 | — | — | US | disclosed |
| US-4010202-A | TREATMENT OF ASTHMA AND ARRHYTHMIA | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1977-03-01 | — | — | US | disclosed |