Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 7/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | 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 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9720309 | 0.90 | CYP3A4 (0.43) | KCNA5LMNACYP1A2CYP3A4CYP11B1 | |
| Ammonia Solution, Strong SCHEMBL9720294 | 0.89 | CYP3A4 (0.43) | KCNA5LMNACYP1A2CYP3A4CYP11B1 | |
| Piperidine SCHEMBL9720307 | 0.80 | KCNA5 (0.43) | KCNA5KCNH2LMNACYP1A2CYP3A4 | |
| SCHEMBL9720326 | 0.78 | CYP3A4 (0.42) | KCNA5LMNACYP1A2CYP3A4CYP11B1 | |
| SCHEMBL9466966 | 0.77 | CYP3A4 (0.41) | KCNA5LMNACYP1A2CYP3A4CYP11B1 | |
| SCHEMBL9720305 | 0.77 | KCNA5 (0.40) | KCNA5KCNH2LMNACYP1A2CYP3A4 | |
| SCHEMBL11030325 | 0.75 | KIF11 (0.41) | KCNH2LMNACYP1A2KDM4EMEN1 | |
| SCHEMBL9720359 | 0.74 | KIF11 (0.37) | LMNACYP3A4CYP17A1CYP19A1 | |
| Ammonia Solution, Strong SCHEMBL9720345 | 0.73 | KIF11 (0.36) | LMNACYP17A1CYP19A1 | |
| SCHEMBL9720324 | 0.69 | LMNA (0.39) | LMNAKDM4ECYP19A1NPC1RAB9A |
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 |