Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 2/20 | 0.39 |
| ▸ | CTRC | Q99895 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 4/20 | 0.38 |
| ▸ | NOS2 | P35228 | 4/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1414893 | 0.98 | PRSS1 (0.40) | PRSS1CTRCF2NOS1NOS2 | |
| SCHEMBL1365389 | 0.93 | PRSS1 (0.41) | PRSS1CTRCF2NOS1NOS2 | |
| SCHEMBL564052 | 0.85 | — | — | |
| Tetrahydrofuran SCHEMBL16586409 | 0.85 | PRSS1 (0.36) | PRSS1CTRCF2NOS1NOS2 | |
| SCHEMBL1364251 | 0.81 | CYP1A2 (0.40) | PRSS1CTRCF2NOS1NOS2 | |
| SCHEMBL1171875 | 0.80 | CYP1A2 (0.44) | CYP1A2 | |
| SCHEMBL30886707 | 0.78 | CYP1A2 (0.45) | PRSS1CTRCF2CYP1A2 | |
| SCHEMBL10788867 | 0.77 | CYP1A2 (0.40) | CYP1A2CA1CA9KMT2A | |
| SCHEMBL24729397 | 0.76 | CYP1A2 (0.44) | CYP1A2HPGDCA1CA9KMT2A | |
| SCHEMBL15657038 | 0.76 | CYP1A2 (0.44) | CYP1A2HPGDCA1CA9KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0889945-A1 | FRAGRANT MACROCYCLIC LACTONES | FIRMENICH SA (CH) | 1999-01-13 | — | — | EP | disclosed |
| WO-1997032948-A1 | FRAGRANT MACROCYCLIC LACTONES | FIRMENICH S.A. (CH) | 1997-09-12 | — | — | WO | disclosed |