Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1053053 | 0.81 | TBXAS1 (0.45) | TBXAS1NAAACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL1053054 | 0.81 | TBXAS1 (0.45) | TBXAS1NAAACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL21462939 | 0.81 | TBXAS1 (0.45) | TBXAS1NAAACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL20708210 | 0.80 | L3MBTL1 (0.39) | HDAC3HDAC1HDAC2NAAACYP3A4 | |
| SCHEMBL9720318 | 0.80 | TBXAS1 (0.68) | TBXAS1HDAC3HDAC1HDAC2LMNA | |
| SCHEMBL2566604 | 0.79 | HSD17B3 (0.47) | TBXAS1LMNACYP3A4CYP2D6CYP1A2 | |
| SCHEMBL2566602 | 0.79 | HSD17B3 (0.47) | TBXAS1LMNACYP3A4CYP2D6CYP1A2 | |
| SCHEMBL2768533 | 0.76 | TBXAS1 (0.48) | TBXAS1NAAA | |
| SCHEMBL2768526 | 0.76 | TBXAS1 (0.48) | TBXAS1NAAA | |
| SCHEMBL2768530 | 0.76 | TBXAS1 (0.48) | TBXAS1NAAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5148817-A | Heterocyclic hydroxy-substituted carboxylic compound as flavor additive | PHILIP MORRIS INCORPORATED (US) | 1992-09-22 | — | — | US | claimed |
| 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 |