Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | PRF1 | P14222 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11696212 | 0.85 | CYP4F2 (0.38) | CA12CA2CA3CA4CA6 | |
| SCHEMBL1486243 | 0.81 | CMA1 (0.32) | CYP3A4 | |
| SCHEMBL7074719 | 0.81 | TAAR1 (0.34) | CA12CA2CA3CA4CA6 | |
| SCHEMBL9669770 | 0.81 | CYP1A2 (0.30) | CYP3A4 | |
| SCHEMBL5233065 | 0.79 | AKR1B1 (0.49) | CA2CYP3A4 | |
| SCHEMBL6979656 | 0.78 | TAAR1 (0.33) | — | |
| SCHEMBL9752268 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL700254 | 0.78 | CYP3A4 (0.40) | CYP3A4CYP2D6PDE5A | |
| SCHEMBL4673253 | 0.78 | ALDH1A1 (0.36) | CYP3A4CYP2D6 | |
| SCHEMBL6203463 | 0.77 | IDO1 (0.42) | CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113559904-A | Application of nitrogen-carbon material anchored iron monatomic catalyst in reaction for catalyzing ammoxidation of alcohol to prepare nitrile | 南京理工大学 | 2021-10-29 | — | — | CN | claimed |
| US-6835212-B2 | Compound with a nucleophilic reaction center, aryl alcohol or benzyl alcohol derivatives and an oxidizing enzyme | WELLA AKTIENGESELLSCHAFT (DE) | 2004-12-28 | — | — | US | claimed |
| US-11937622-B2 | Obtaining a volatile fraction from juices or alcoholic beverages | SYMRISE AG (DE) | 2024-03-26 | — | — | US | disclosed |
| US-20220117271-A1 | OBTAINING A VOLATILE FRACTION FROM JUICES OR ALCOHOLIC BEVERAGES | SYMRISE AG (DE) | 2022-04-21 | — | — | US | disclosed |