Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 4/20 | 0.39 |
| ▸ | CES1 | P23141 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 3/20 | 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 | |
|---|---|---|---|---|
| Heptane SCHEMBL28124413 | 0.98 | CES2 (0.41) | HSD17B10LMNACTSKCES2CES1 | |
| Octane SCHEMBL6906045 | 0.98 | CES2 (0.41) | HSD17B10LMNACTSKCES2CES1 | |
| 1-Pentanol SCHEMBL27646802 | 0.92 | SMN1; SMN2 (0.48) | HSD17B10LMNACTSKCA1CA2 | |
| Butane SCHEMBL27617980 | 0.90 | LMNA (0.45) | HSD17B10LMNACTSKCA1CA2 | |
| Tetrabuthylammonium SCHEMBL28155024 | 0.90 | SLC22A1 (0.46) | HSD17B10LMNACTSKCA1CA2 | |
| 1-Hexanol SCHEMBL8760951 | 0.90 | LMNA (0.50) | HSD17B10LMNACTSKFAAHMEN1 | |
| Butyl Alcohol SCHEMBL6493061 | 0.89 | ALDH1A1 (0.46) | HSD17B10LMNACTSKCA1CA2 | |
| Hexanoate SCHEMBL1232492 | 0.88 | AKR1B1 (0.59) | HSD17B10LMNAALOX15MEN1KMT2A | |
| Propane SCHEMBL27464056 | 0.87 | ALOX15 (0.43) | HSD17B10LMNACTSKCA1CA2 | |
| Butyl Chloride SCHEMBL28621738 | 0.87 | TSHR (0.44) | HSD17B10LMNACTSKCA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110062753-A | Antiviral compounds | 哈普洛根有限责任公司 | 2019-07-26 | — | — | CN | disclosed |
| CN-109790157-A | New antimicrobial compound | 方济各安吉利克化学联合股份有限公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-109415373-A | New antimicrobial compound | 方济各安吉利克化学联合股份有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-101511799-B | Cyclic amine compound | DAIICHI SANKYO CO LTD | 2012-05-30 | — | — | CN | disclosed |
| CN-101511799-A | Cyclic amine compound | DAIICHI SANKYO CO LTD (JP) | 2009-08-19 | — | — | CN | disclosed |