Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3837519 | 1.00 | TDP1 (0.42) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL3064781 | 0.84 | PDE4A (0.44) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL27677822 | 0.84 | OR51E2 (0.42) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL1895730 | 0.84 | PDE4A (0.44) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL3064788 | 0.84 | PDE4A (0.44) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL3073651 | 0.84 | PDE4A (0.44) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL5489376 | 0.82 | PTGS1 (0.37) | TDP1TP53 | |
| SCHEMBL13986496 | 0.82 | TDP1 (0.48) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL9636422 | 0.82 | TDP1 (0.48) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL1000793 | 0.82 | TDP1 (0.48) | TDP1CHRM1AKR1A1CHRM3HTR2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1871782-B1 | DIPHOSPHINES AND METAL COMPLEXES | UMICORE AG & CO KG (DE) | 2012-02-29 | — | — | EP | disclosed |
| EP-1904640-B1 | ASYMMETRIC REDUCTION OF 1,1,1-TRIFLUOROACETONE | HOFFMANN LA ROCHE (CH) | 2009-08-19 | — | — | EP | disclosed |
| EP-1904640-A2 | ASYMMETRIC REDUCTION OF 1,1,1-TRIFLUOROACETONE | F. Hoffmann-Roche AG (CH) | 2008-04-02 | — | — | EP | disclosed |
| US-7196234-B2 | Asymmetric reduction of 1,1,1-trifluoroacetone | HOFFMAN-LA ROCHE INC. (US) | 2007-03-27 | — | — | US | disclosed |
| WO-2007006650-A2 | ASYMMETRIC REDUCTION OF 1,1,1-TRIFLUOROACETONE | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-18 | — | — | WO | disclosed |
| US-20070009999-A1 | Asymmetric reduction of 1,1,1-trifluoroacetone | HOFFMANN-LA ROCHE INC. | 2007-01-11 | — | — | US | disclosed |