Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 6/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | GRM8 | O00222 | 2/20 | 0.34 |
| ▸ | GRM6 | O15303 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.30 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22396496 | 1.00 | CYP2C19 (0.35) | CYP2C19GRM4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL14783304 | 0.77 | CYP2C19 (0.36) | CYP2C19GRM4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL7003944 | 0.75 | CYP2C19 (0.35) | CYP2C19GRM4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL21410715 | 0.75 | CYP2C19 (0.35) | CYP2C19GRM4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL20798258 | 0.75 | APLNR (0.37) | CYP2C19GRM4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL11518296 | 0.75 | APLNR (0.37) | CYP2C19GRM4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL21410922 | 0.75 | CYP2C19 (0.35) | CYP2C19GRM4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL248944 | 0.75 | CYP2C19 (0.35) | CYP2C19GRM4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL6268424 | 0.71 | APLNR (0.34) | CYP2C19GRM4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL1173556 | 0.67 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3704090-A1 | MODULATORS OF THE INTEGRATED STRESS PATHWAY | Calico Life Sciences LLC (US) | 2020-09-09 | — | — | EP | disclosed |
| EP-3325475-A1 | OXADIAZOLE DERIVATIVES USEFUL AS HDAC INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2018-05-30 | — | — | EP | disclosed |
| WO-2017014321-A1 | OXADIAZOLE DERIVATIVES USEFUL AS HDAC INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-01-26 | — | — | WO | disclosed |
| EP-3071036-A1 | PESTICIDAL COMPOSITIONS AND RELATED METHODS | Dow AgroSciences LLC (US) | 2016-09-28 | — | — | EP | disclosed |
| WO-2015061165-A1 | PESTICIDAL COMPOSITIONS AND RELATED METHODS | DOW AGROSCIENCES LLC (US) | 2015-04-30 | — | — | WO | disclosed |
| EP-2797915-A1 | 2 - BENZYL, 3 - (PYRIMIDIN- 2 -YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS | Ironwood Pharmaceuticals, Inc. (US) | 2014-11-05 | — | — | EP | disclosed |
| WO-2013101830-A1 | 2 - BENZYL, 3 - (PYRIMIDIN- 2 -YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2013-07-04 | — | — | WO | disclosed |
| EP-2588465-A1 | SGC STIMULATORS | Ironwood Pharmaceuticals, Inc. (US) | 2013-05-08 | — | — | EP | disclosed |
| EP-2467137-A1 | BIARYL COMPOUNDS AND METHODS OF USE THEREOF | Ambit Biosciences Corporation (US) | 2012-06-27 | — | — | EP | disclosed |
| WO-2012003405-A1 | SGC STIMULATORS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2012-01-05 | — | — | WO | disclosed |
| WO-2011022473-A1 | BIARYL COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2011-02-24 | — | — | WO | disclosed |