Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | FDPS | P14324 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4186835 | 0.84 | CYP1A2 (0.62) | CYP1A2CYP2C9CYP2C19FDPSHIF1A | |
| SCHEMBL30234244 | 0.82 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19FDPSHIF1A | |
| SCHEMBL3088174 | 0.80 | CYP2C9 (0.52) | CYP1A2CYP2C9CYP2C19FDPSHIF1A | |
| SCHEMBL10994301 | 0.78 | CYP2C19 (0.50) | CYP1A2CYP2C9CYP2C19FDPSHIF1A | |
| SCHEMBL1421007 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19FDPSHIF1A | |
| SCHEMBL324079 | 0.78 | SLC6A2 (0.50) | CYP1A2CYP2C9CYP2C19FDPSHIF1A | |
| SCHEMBL10476772 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19FDPSHIF1A | |
| SCHEMBL28607388 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19FDPSHIF1A | |
| SCHEMBL11141219 | 0.77 | SLC6A4 (0.52) | CYP1A2CYP2C9CYP2C19HIF1ASLC6A2 | |
| Phosphine SCHEMBL11016680 | 0.76 | SLC6A2 (0.48) | CYP1A2CYP2C9CYP2C19FDPSHIF1A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105063103-A | Method for producing chiral phenyl dichloroethanol with molds | UNIV QINGDAO SCIENCE & TECHNOLOGY | 2015-11-18 | — | — | CN | disclosed |
| CN-105063103-A | Method for producing chiral phenyl dichloroethanol with molds | UNIV QINGDAO SCIENCE & TECHNOLOGY | 2015-11-18 | — | — | CN | disclosed |
| US-6288297-B1 | REACTION OF ALDEHYDE WITH TRICHLOROACETIC ACID OR TRIBROMOACETIC ACID IN THE PRESENCE OF BASE CATALYST TO FORM HALOGENATED ALCOHOL, ETHERIFICATION IN THE PRESENCE OF COUPLING CATALYST AND ACID SCAVENGER | DUPONT PHARMACEUTICALS COMPANY | 2001-09-11 | — | — | US | disclosed |
| EP-0256888-A1 | Benzothiazepine vasodilators having aralkyl substitution | McNeilab, Inc. (US) | 1988-02-24 | — | — | EP | disclosed |
| US-4727073-A | CEREBOVASCULAR DISEASES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1988-02-23 | — | — | US | disclosed |
| US-4698340-A | TREATMENT OF CEREBROVASCULAR DISEASES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1987-10-06 | — | — | US | disclosed |
| EP-0177287-A2 | Pyrimidine derivatives, processes for preparation thereof and composition of the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-04-09 | — | — | EP | disclosed |
| EP-0169712-A2 | New pyrimidine derivatives, processes for preparation thereof and composition containing the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-01-29 | — | — | EP | disclosed |
| US-3966900-A | INSECTICIDES | AIRWICK INDUSTRIES, INC. (US) | 1976-06-29 | — | — | US | disclosed |