Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | PTGER2 | P43116 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL807032 | 0.81 | CYP2D6 (0.53) | CYP2D6CYP3A4HIF1APTGER2CHRM2 | |
| SCHEMBL3276408 | 0.74 | CYP2D6 (0.51) | CYP2D6CYP3A4HIF1APTGER2ALDH1A1 | |
| SCHEMBL6436620 | 0.73 | CYP2D6 (0.51) | CYP2D6HTR1ADRD4HTR2BTMEM97 | |
| SCHEMBL807306 | 0.73 | CYP2D6 (0.53) | CYP2D6PTGER2ALDH1A1HTR1ASIGMAR1 | |
| SCHEMBL807150 | 0.72 | PTGER2 (0.59) | CYP2D6PTGER2 | |
| SCHEMBL807310 | 0.71 | CYP2D6 (0.48) | CYP2D6CYP3A4HIF1APTGER2ALDH1A1 | |
| SCHEMBL14023200 | 0.71 | ALDH1A1 (0.53) | CYP2D6CYP3A4HIF1APTGER2KDM4E | |
| SCHEMBL4788136 | 0.71 | DRD2 (0.51) | CYP2D6CYP3A4HIF1APTGER2ALDH1A1 | |
| SCHEMBL807305 | 0.71 | SIGMAR1 (0.71) | CYP2D6PTGER2KDM4EALDH1A1HPGD | |
| SCHEMBL807148 | 0.70 | CYP2D6 (0.49) | CYP2D6CYP3A4HIF1APTGER2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012037105-A1 | METHODS OF TREATING, AMELIORATING OR PREVENTING STRESS-INDUCED NEURONAL DISORDERS AND DISEASES | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012019076-A1 | COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING CARDIAC ISCHEMIA/REPERFUSION INJURY | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2012-02-09 | — | — | WO | disclosed |
| WO-2012019071-A1 | METHODS OF PREVENTING AND TREATING SARCOPENIA | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2012-02-09 | — | — | WO | disclosed |
| WO-2008144483-A2 | AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS | ARMGO PHARMA, INC. (US) | 2008-11-27 | — | — | WO | disclosed |