Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
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 | 0.86 | TBXAS1 (0.50) | KCNA5KCNH2L3MBTL1LMNATDP1 | |
| Ammonia Solution, Strong SCHEMBL9720296 | 0.85 | TBXAS1 (0.49) | KCNA5KCNH2L3MBTL1LMNATDP1 | |
| SCHEMBL9720329 | 0.85 | KCNA5 (0.47) | KCNA5KCNH2L3MBTL1LMNATDP1 | |
| SCHEMBL10904085 | 0.84 | TDP1 (0.44) | TDP1CYP3A4SMN1; SMN2TSHRKMT2A | |
| SCHEMBL11075778 | 0.79 | ALOX5 (0.38) | L3MBTL1LMNATDP1CYP1A2MAPK1 | |
| SCHEMBL9466966 | 0.78 | CYP3A4 (0.41) | KCNA5LMNATDP1CYP1A2CYP3A4 | |
| Piperidine SCHEMBL9720307 | 0.77 | KCNA5 (0.43) | KCNA5KCNH2L3MBTL1LMNATDP1 | |
| SCHEMBL10904098 | 0.76 | POLB (0.49) | TDP1SMN1; SMN2TSHRCYP2C19KMT2A | |
| SCHEMBL11067677 | 0.73 | TDP1 (0.35) | L3MBTL1LMNATDP1CYP3A4TSHR | |
| Iodide SCHEMBL9340453 | 0.73 | L3MBTL1 (0.47) | L3MBTL1LMNACYP1A2TBXAS1MAPK1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4479003-A | Heterocyclic-hydroxy-substituted carboxylate esters | PHILIP MORRIS, INCORPORATED (US) | 1984-10-23 | — | — | US | claimed |
| EP-0037163-A2 | Flavouring agents, smoking compositions, combustible articles and foodstuffs containing such agents, and a method of producing the same | PHILIP MORRIS INCORPORATED (US) | 1981-10-07 | — | — | EP | claimed |
| US-5256785-A | Smoking compositions containing an oxalate flavorant-release additive | PHILIP MORRIS INCORPORATED (US) | 1993-10-26 | — | — | US | disclosed |
| US-5218118-A | Smoking compositions containing a pyrazine-ethanol flavorant-release additive | PHILIP MORRIS INCORPORATED (US) | 1993-06-08 | — | — | US | disclosed |
| US-5174308-A | SMOKING COMPOSITIONS CONTAINING A PYRAZINEETHANOL FLAVORANT-RELEASE ADDITIVE | PHILIP MORRIS INCORPORATED (US) | 1992-12-29 | — | — | US | disclosed |
| US-5172706-A | Smoking compositions containing an oxalate flavorant-release additive | PHILIP MORRIS INCORPORATED (US) | 1992-12-22 | — | — | US | disclosed |
| EP-0518617-A1 | Smoking compositions containing a pyrazineethanol flavorant-release additive | Philip Morris Products Inc. (US) | 1992-12-16 | — | — | EP | disclosed |
| US-5080719-A | Pyrazine derivatives | PHILIP MORRIS INCORPORATED (US) | 1992-01-14 | — | — | US | disclosed |
| US-4872918-A | Heterocyclic esters and smoking compositions containing a heterocyclic ester flavorant-release additive | PHILIP MORRIS INCORPORATED (US) | 1989-10-10 | — | — | US | disclosed |
| EP-0309203-A2 | Flavorant-release additives and compositions containing them | Philip Morris Products Inc. (US) | 1989-03-29 | — | — | EP | disclosed |
| US-4701282-A | CIGARETTES | PHILIP MORRIS INCORPORATED (US) | 1987-10-20 | — | — | US | disclosed |
| US-4690157-A | DERIVATIVES OF BUTYROLACTONE OR VALEROLACTONE; CIGARETTES | PHILIP MORRIS INCORPORATED (US) | 1987-09-01 | — | — | US | disclosed |
| US-4538627-A | Smoking compositions containing a β-hydroxy-γ-ketoester flavorant-release additive | PHILIP MORRIS INCORPORATED (US) | 1985-09-03 | — | — | US | disclosed |
| US-4479003-A | Heterocyclic-hydroxy-substituted carboxylate esters | PHILIP MORRIS, INCORPORATED (US) | 1984-10-23 | — | — | US | disclosed |
| US-4479003-A | Heterocyclic-hydroxy-substituted carboxylate esters | PHILIP MORRIS, INCORPORATED (US) | 1984-10-23 | — | — | US | disclosed |
| US-4312368-A | Smoking compositions | PHILIP MORRIS, INCORPORATED (US) | 1982-01-26 | — | — | US | disclosed |
| US-4312368-A | Smoking compositions | PHILIP MORRIS, INCORPORATED (US) | 1982-01-26 | — | — | US | disclosed |
| EP-0037163-A2 | Flavouring agents, smoking compositions, combustible articles and foodstuffs containing such agents, and a method of producing the same | PHILIP MORRIS INCORPORATED (US) | 1981-10-07 | — | — | EP | disclosed |