Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | ACE | P12821 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | PTPRA | P18433 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MME | P08473 | 1/20 | 0.31 |
| ▸ | CPA1 | P15085 | 1/20 | 0.31 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11075772 | 0.84 | MEN1 (0.38) | DPP8DPP9ALDH1A1POLBMEN1 | |
| SCHEMBL11030325 | 0.78 | KIF11 (0.41) | CYP1A2ACEALDH1A1MMECPA1 | |
| SCHEMBL9720359 | 0.77 | KIF11 (0.37) | ACEALDH1A1 | |
| SCHEMBL9720324 | 0.77 | LMNA (0.39) | ALDH1A1POLBKMT2ANPC1RAB9A | |
| Ammonia Solution, Strong SCHEMBL9720345 | 0.76 | KIF11 (0.36) | ACE | |
| SCHEMBL9720309 | 0.76 | CYP3A4 (0.43) | CYP1A2MEN1KMT2ANPC1RAB9A | |
| Ammonia Solution, Strong SCHEMBL9720328 | 0.76 | LMNA (0.38) | POLBKMT2ANPC1RAB9A | |
| Ammonia Solution, Strong SCHEMBL9720294 | 0.75 | CYP3A4 (0.43) | CYP1A2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL12238625 | 0.69 | SMN1; SMN2 (0.33) | CYP1A2 | |
| SCHEMBL26833445 | 0.69 | SMN1; SMN2 (0.33) | CYP1A2 |
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 |