Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 8/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | ITGB6 | P18564 | 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 | |
|---|---|---|---|---|
| SCHEMBL9720312 | 0.90 | TBXAS1 (0.50) | KCNA5KCNH2TBXAS1LMNACYP1A2 | |
| Ammonia Solution, Strong SCHEMBL9720296 | 0.89 | TBXAS1 (0.49) | KCNA5KCNH2TBXAS1LMNACYP1A2 | |
| Piperidine SCHEMBL9720304 | 0.80 | KCNA5 (0.40) | KCNA5KCNH2LMNACYP1A2CYP3A4 | |
| SCHEMBL9720329 | 0.79 | KCNA5 (0.47) | KCNA5KCNH2TBXAS1LMNACYP1A2 | |
| SCHEMBL9466971 | 0.77 | KCNA5 (0.46) | KCNA5KCNH2TBXAS1LMNACYP1A2 | |
| SCHEMBL11030342 | 0.75 | MAPK1 (0.44) | TBXAS1CNR2 | |
| SCHEMBL9720361 | 0.74 | HSPD1 (0.40) | TBXAS1LMNA | |
| Ammonia Solution, Strong SCHEMBL9720349 | 0.73 | TBXAS1 (0.39) | TBXAS1LMNA | |
| SCHEMBL9720372 | 0.69 | HSPD1 (0.40) | TBXAS1TDP1 | |
| SCHEMBL9720369 | 0.69 | HDAC3 (0.41) | TBXAS1L3MBTL1 |
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 |