Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7518865 | 0.86 | TBXAS1 (0.45) | TBXAS1CYP19A1ESR1ALDH1A1NPC1 | |
| SCHEMBL21228599 | 0.83 | ESR1 (0.49) | TBXAS1CYP19A1ESR1ALDH1A1NPC1 | |
| SCHEMBL12197985 | 0.83 | ESR1 (0.49) | TBXAS1CYP19A1ESR1ALDH1A1NPC1 | |
| SCHEMBL9720298 | 0.80 | MAOA (0.40) | ALDH1A1TP53NPSR1HDAC3HDAC1 | |
| SCHEMBL10193816 | 0.76 | TBXAS1 (0.57) | TBXAS1CYP19A1ESR1ALDH1A1NPSR1 | |
| SCHEMBL18469285 | 0.75 | ALDH1A1 (0.52) | TBXAS1CYP19A1ESR1ALDH1A1HDAC1 | |
| SCHEMBL6921845 | 0.75 | ALDH1A1 (0.52) | TBXAS1CYP19A1ESR1ALDH1A1HDAC1 | |
| SCHEMBL17135323 | 0.75 | ALDH1A1 (0.52) | TBXAS1CYP19A1ESR1ALDH1A1HDAC1 | |
| SCHEMBL7928990 | 0.74 | TBXAS1 (0.46) | TBXAS1ALDH1A1NPC1TP53RAB9A | |
| Ammonia Solution, Strong SCHEMBL27802137 | 0.73 | TBXAS1 (0.50) | TBXAS1CYP19A1ESR1ALDH1A1HDAC1 |
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 |