Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | MLYCD | O95822 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL9720345 | 0.98 | KIF11 (0.36) | KIF11LMNAHTTSMN1; SMN2CYP19A1 | |
| SCHEMBL9720366 | 0.89 | POLB (0.39) | LMNASMN1; SMN2GAAMAPTMAPK1 | |
| SCHEMBL11030325 | 0.86 | KIF11 (0.41) | KIF11LMNAHTTSMN1; SMN2GAA | |
| SCHEMBL9720319 | 0.85 | CYP19A1 (0.33) | KIF11LMNAHTTSMN1; SMN2CYP19A1 | |
| SCHEMBL9720309 | 0.83 | CYP3A4 (0.43) | LMNACYP19A1CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL9720294 | 0.82 | CYP3A4 (0.43) | LMNACYP19A1CYP3A4 | |
| SCHEMBL9720368 | 0.77 | DPP8 (0.36) | ACEALDH1A1 | |
| SCHEMBL9720324 | 0.75 | LMNA (0.39) | LMNAHTTSMN1; SMN2CYP19A1GAA | |
| Ammonia Solution, Strong SCHEMBL9720328 | 0.74 | LMNA (0.38) | LMNAHTTSMN1; SMN2CYP19A1GAA | |
| SCHEMBL9720361 | 0.73 | HSPD1 (0.40) | KIF11LMNASMN1; SMN2MAPTMAPK1 |
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 |