Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | F13A1 | P00488 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ESRRB | O95718 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27643002 | 0.90 | CALM1 (0.44) | BLMCA2ESR1ESR2KDM4E | |
| SCHEMBL28989013 | 0.87 | PPARA (0.47) | CA2TDP1CA12CA1CA4 | |
| SCHEMBL27593041 | 0.87 | ESRRG (0.42) | CYP2C19ESRRGMET | |
| SCHEMBL27454528 | 0.87 | LOXL2 (0.42) | KDM4E | |
| SCHEMBL27811153 | 0.87 | PPARA (0.42) | CA2CA12CA1CA4CA6 | |
| SCHEMBL27729178 | 0.85 | SLC13A5 (0.37) | CA2CYP2C19CA1 | |
| SCHEMBL27987407 | 0.85 | MEN1 (0.42) | SLC6A2CYP2C19KMT2AMEN1TDP1 | |
| SCHEMBL27848343 | 0.85 | SPHK2 (0.36) | SLC6A2CYP2C19 | |
| SCHEMBL27805748 | 0.85 | SPHK2 (0.36) | CYP2C19 | |
| SCHEMBL27532961 | 0.85 | TAAR1 (0.40) | TAAR1KMT2AMEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1875002-B | Phenyl derivatives as PPAR agonists | HOFFMANN LA ROCHE | 2011-08-03 | — | — | CN | disclosed |
| CN-1997619-B | Ethynyl containing phenyl derivatives | HOFFMANN LA ROCHE | 2010-08-25 | — | — | CN | disclosed |
| CN-101720319-A | Thiazolidine derivatives and methods for the preparation thereof | KAINOS MEDICINE INC | 2010-06-02 | — | — | CN | disclosed |
| CN-101074242-A | Cells accumulation for sphosphonate analogs of HIV protease inhibitor compound and the same compound | GILEAD SCIENCES INC (US) | 2007-11-21 | — | — | CN | disclosed |
| CN-1997619-A | Phenyl derivatives comprising an acetylene group | HOFFMANN LA ROCHE (CH) | 2007-07-11 | — | — | CN | disclosed |
| CN-1313472-C | Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds | GILEAD SCIENCES INC (US) | 2007-05-02 | — | — | CN | disclosed |
| CN-1875002-A | Phenyl derivatives as PPAR agonists | HOFFMANN LA ROCHE (CH) | 2006-12-06 | — | — | CN | disclosed |
| CN-1649885-A | Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds | GILEAD SCIENCES INC (US) | 2005-08-03 | — | — | CN | disclosed |