Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.35 |
| ▸ | ESR1 | P03372 | 6/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | MAT2A | P31153 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL8963147 | 1.00 | IDO1 (0.40) | IDO1ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL8963101 | 0.92 | IDO1 (0.41) | IDO1ALDH1A1TSHRMDM2HDAC2 | |
| SCHEMBL8963111 | 0.92 | IDO1 (0.41) | IDO1ALDH1A1TSHRMDM2HDAC2 | |
| SCHEMBL8962734 | 0.88 | DRD1 (0.42) | IDO1HDAC2MAT2ADRD1 | |
| SCHEMBL8962726 | 0.88 | DRD1 (0.42) | IDO1HDAC2MAT2ADRD1 | |
| SCHEMBL8963275 | 0.88 | IDO1 (0.39) | IDO1ALDH1A1TSHRMDM2HDAC2 | |
| SCHEMBL8963060 | 0.83 | EPHX2 (0.37) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL8963064 | 0.83 | EPHX2 (0.37) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL8963125 | 0.83 | DRD2 (0.43) | ESR2ESR1CYP2C9CYP3A4MAPT | |
| SCHEMBL8963134 | 0.83 | DRD2 (0.43) | ESR2ESR1CYP2C9CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |
| EP-0559860-A1 | HALOVINYL-DERIVATIVES. | HOFFMANN LA ROCHE (CH) | 1993-09-15 | — | — | EP | disclosed |