Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TTR | P02766 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | FDPS | P14324 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8962277 | 1.00 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8915421 | 0.83 | THRB (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8915413 | 0.83 | THRB (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8917265 | 0.82 | HTT (0.46) | MAOBCYP1A1CYP1B1TAS1R3TAS1R1 | |
| SCHEMBL8917259 | 0.82 | HTT (0.46) | MAOBCYP1A1CYP1B1TAS1R3TAS1R1 | |
| SCHEMBL8962281 | 0.82 | HTT (0.46) | MAOBCYP1A1CYP1B1TAS1R3TAS1R1 | |
| SCHEMBL8917835 | 0.82 | HTT (0.46) | MAOBCYP1A1CYP1B1TAS1R3TAS1R1 | |
| SCHEMBL1959915 | 0.81 | CA12 (0.71) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2043458 | 0.81 | CA12 (0.71) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL8422744 | 0.81 | HTT (0.45) | MAOBCYP1A1CYP1B1TAS1R3TAS1R1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5569776-A | Process for the preparation of 4-fluoroalkoxycinnamonitriles | HOECHET AG (DE) | 1996-10-29 | — | — | US | disclosed |