Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 1.00 |
| ▸ | MAPT | P10636 | 2/20 | 1.00 |
| ▸ | DRD1 | P21728 | 2/20 | 0.53 |
| ▸ | DRD4 | P21917 | 2/20 | 0.53 |
| ▸ | DRD5 | P21918 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | MAOA | P21397 | 5/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4571013 | 1.00 | CYP3A4 (1.00) | CYP3A4MAPTDRD1DRD4DRD5 | |
| SCHEMBL29394312 | 1.00 | CYP3A4 (1.00) | CYP3A4MAPTDRD1DRD4DRD5 | |
| SCHEMBL22953335 | 1.00 | CYP3A4 (1.00) | CYP3A4MAPTDRD1DRD4DRD5 | |
| SCHEMBL13456132 | 0.92 | MAPT (0.84) | CYP3A4MAPTDRD1DRD4DRD5 | |
| SCHEMBL6904036 | 0.92 | MAPT (0.84) | CYP3A4MAPTDRD1DRD4DRD5 | |
| SCHEMBL25591699 | 0.88 | CYP3A4 (0.78) | CYP3A4MAPTDRD1DRD4DRD5 | |
| SCHEMBL29460958 | 0.88 | CYP3A4 (0.78) | CYP3A4MAPTDRD1DRD4DRD5 | |
| SCHEMBL13508341 | 0.87 | MAPT (0.76) | CYP3A4MAPTDRD1DRD4DRD5 | |
| SCHEMBL7981630 | 0.86 | MAPT (0.75) | CYP3A4MAPTDRD1DRD4DRD5 | |
| SCHEMBL12595457 | 0.84 | MAPT (0.71) | CYP3A4MAPTDRD1DRD4DRD5 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7862775-B2 | Determination of explosives including RDX | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2011-01-04 | — | — | US | disclosed |
| US-7862775-B2 | Determination of explosives including RDX | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2011-01-04 | — | — | US | disclosed |
| US-20100303672-A1 | DETERMINATION OF EXPLOSIVES INCLUDNIG RDX | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2010-12-02 | — | — | US | disclosed |
| US-7666684-B2 | luminescence emission | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2010-02-23 | — | — | US | disclosed |
| US-20100022011-A1 | DETERMINATION OF EXPLOSIVES INCLUDING RDX | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2010-01-28 | — | — | US | disclosed |
| WO-2008130376-A2 | DETERMINATION OF EXPLOSIVES INCLUDING RDX | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2008-10-30 | — | — | WO | disclosed |
| WO-2008130376-A2 | DETERMINATION OF EXPLOSIVES INCLUDING RDX | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2008-10-30 | — | — | WO | disclosed |