Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPD1 | P10809 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11075778 | 0.84 | ALOX5 (0.38) | MAPK1CA2MEN1KMT2AHPGD | |
| SCHEMBL11030342 | 0.80 | MAPK1 (0.44) | HSPD1BLMHSPE1MAPK1CA2 | |
| SCHEMBL9720361 | 0.79 | HSPD1 (0.40) | HSPD1BLMHSPE1MAPK1CA2 | |
| Ammonia Solution, Strong SCHEMBL9720349 | 0.78 | TBXAS1 (0.39) | HSPD1BLMHSPE1MAPK1CA2 | |
| SCHEMBL9720312 | 0.77 | TBXAS1 (0.50) | TBXAS1TDP1POLB | |
| Ammonia Solution, Strong SCHEMBL9720296 | 0.76 | TBXAS1 (0.49) | TBXAS1TDP1POLB | |
| SCHEMBL15518120 | 0.73 | CA2 (0.54) | HSPD1BLMHSPE1MAPK1CA2 | |
| SCHEMBL9720356 | 0.72 | HSPD1 (0.38) | HSPD1BLMHSPE1MAPK1CA2 | |
| SCHEMBL9720369 | 0.72 | HDAC3 (0.41) | HSPD1BLMHSPE1MAPK1TBXAS1 | |
| SCHEMBL2230112 | 0.70 | CA2 (0.56) | HSPD1BLMHSPE1MAPK1CA2 |
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 |