Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM6B | O15054 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9720359 | 0.89 | KIF11 (0.37) | SMN1; SMN2ALDH1A1MAPTGAAMLYCD | |
| Ammonia Solution, Strong SCHEMBL9720345 | 0.87 | KIF11 (0.36) | SMN1; SMN2MAPTGAAMLYCDMAPK1 | |
| SCHEMBL9720369 | 0.81 | HDAC3 (0.41) | POLBHDAC3HDAC1HDAC2L3MBTL1 | |
| SCHEMBL11030325 | 0.76 | KIF11 (0.41) | L3MBTL1SMN1; SMN2ALDH1A1MAPTGAA | |
| SCHEMBL9720319 | 0.76 | CYP19A1 (0.33) | SMN1; SMN2MAPTMLYCDMAPK1CYP2C19 | |
| SCHEMBL9720309 | 0.74 | CYP3A4 (0.43) | CYP1A2CYP3A4LMNAKDM4E | |
| Ammonia Solution, Strong SCHEMBL9720294 | 0.73 | CYP3A4 (0.43) | CYP1A2CYP3A4LMNAKDM4E | |
| SCHEMBL9720361 | 0.72 | HSPD1 (0.40) | HDAC3HDAC1HDAC2SMN1; SMN2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL9720349 | 0.71 | TBXAS1 (0.39) | HDAC3HDAC1HDAC2SMN1; SMN2ALDH1A1 | |
| SCHEMBL9720368 | 0.68 | DPP8 (0.36) | POLBALDH1A1CYP1A2 |
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-5148817-A | Heterocyclic hydroxy-substituted carboxylic compound as flavor additive | PHILIP MORRIS INCORPORATED (US) | 1992-09-22 | — | — | US | disclosed |
| US-4592373-A | Smoking compositions | PHILIP MORRIS INC. (US) | 1986-06-03 | — | — | US | disclosed |
| EP-0052969-A2 | Flavorant compounds, their pyrolysis products, and smoking and food compositions containing them | PHILIP MORRIS INCORPORATED (US) | 1982-06-02 | — | — | EP | disclosed |