Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 6/20 | 0.38 |
| ▸ | CA2 | P00918 | 6/20 | 0.38 |
| ▸ | CA9 | Q16790 | 6/20 | 0.38 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.38 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.38 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11058838 | 1.00 | MEN1 (0.54) | MEN1THRBHTTKMT2AMAPT | |
| SCHEMBL11057248 | 1.00 | MEN1 (0.54) | MEN1THRBHTTKMT2AMAPT | |
| SCHEMBL2778424 | 0.91 | TSHR (0.50) | MEN1THRBHTTKMT2AMAPT | |
| SCHEMBL9542977 | 0.86 | CA1 (0.43) | THRBCES2TSHRALDH1A1CA1 | |
| SCHEMBL36625 | 0.86 | CA1 (0.43) | THRBCES2TSHRALDH1A1CA1 | |
| SCHEMBL11232265 | 0.86 | CA1 (0.43) | THRBCES2TSHRALDH1A1CA1 | |
| SCHEMBL11228547 | 0.86 | CA1 (0.43) | THRBCES2TSHRALDH1A1CA1 | |
| Hexadecane SCHEMBL8507253 | 0.86 | CA1 (0.43) | THRBCES2TSHRALDH1A1CA1 | |
| SCHEMBL326032 | 0.86 | CA1 (0.43) | THRBCES2TSHRALDH1A1CA1 | |
| SCHEMBL273331 | 0.86 | CA1 (0.43) | THRBCES2TSHRALDH1A1CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4448587-A | ALKYL NITRATES AND ALKOXYALKYL NITRATES AS ADDITIVES | ETHYL CORPORATION (US) | 1984-05-15 | — | — | US | disclosed |