Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.51 |
| ▸ | DRD3 | P35462 | 5/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.45 |
| ▸ | PTGER2 | P43116 | 4/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL3276408 | 0.81 | CYP2D6 (0.51) | DRD2DRD3CYP2D6PTGER2CYP3A4 | |
| SCHEMBL6436620 | 0.80 | CYP2D6 (0.51) | CYP2D6ADRA2AADRA2BTMEM97SIGMAR1 | |
| SCHEMBL19035635 | 0.79 | DRD3 (0.60) | DRD2DRD3HRH3ADRA2AADRA2B | |
| SCHEMBL14023200 | 0.78 | ALDH1A1 (0.53) | CYP2D6PTGER2CYP3A4HIF1AACHE | |
| SCHEMBL807310 | 0.78 | CYP2D6 (0.48) | CYP2D6PTGER2CYP3A4HIF1AADRA2A | |
| SCHEMBL807032 | 0.78 | CYP2D6 (0.53) | DRD2DRD3CYP2D6PTGER2CYP3A4 | |
| SCHEMBL807306 | 0.77 | CYP2D6 (0.53) | DRD2CYP2D6PTGER2SIGMAR1ALDH1A1 | |
| SCHEMBL807305 | 0.77 | SIGMAR1 (0.71) | DRD2DRD3CYP2D6PTGER2ADRA2A | |
| SCHEMBL807148 | 0.76 | CYP2D6 (0.49) | CYP2D6PTGER2CYP3A4HIF1AADRA2A | |
| SCHEMBL807150 | 0.76 | PTGER2 (0.59) | CYP2D6PTGER2 |
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 5 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-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-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-2008144483-A2 | AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS | ARMGO PHARMA, INC. (US) | 2008-11-27 | — | — | WO | disclosed |
| WO-2008144483-A2 | AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS | ARMGO PHARMA, INC. (US) | 2008-11-27 | — | — | WO | disclosed |