Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 13/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7751636 | 0.86 | TBXAS1 (0.66) | TBXAS1TBXA2R | |
| SCHEMBL10193816 | 0.83 | TBXAS1 (0.57) | TBXAS1L3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3128200 | 0.82 | TBXAS1 (0.61) | TBXAS1LMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9528079 | 0.81 | TBXAS1 (0.72) | TBXAS1TBXA2R | |
| SCHEMBL9528067 | 0.81 | TBXAS1 (0.72) | TBXAS1TBXA2R | |
| SCHEMBL9530856 | 0.81 | TBXAS1 (0.72) | TBXAS1TBXA2R | |
| SCHEMBL9720299 | 0.80 | TBXAS1 (0.43) | TBXAS1L3MBTL1LMNAHDAC3HDAC1 | |
| SCHEMBL1053053 | 0.79 | TBXAS1 (0.45) | TBXAS1CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL21462939 | 0.79 | TBXAS1 (0.45) | TBXAS1CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL1053054 | 0.79 | TBXAS1 (0.45) | TBXAS1CYP1A2CYP2C9TSHRCYP2C19 |
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 |