Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR3 | P51677 | 1/20 | 0.67 |
| ▸ | DRD2 | P14416 | 4/20 | 0.65 |
| ▸ | DRD4 | P21917 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | DRD3 | P35462 | 5/20 | 0.62 |
| ▸ | HTR1A | P08908 | 2/20 | 0.62 |
| ▸ | HTR2A | P28223 | 2/20 | 0.62 |
| ▸ | HTR2C | P28335 | 1/20 | 0.62 |
| ▸ | HTR3A | P46098 | 1/20 | 0.61 |
| ▸ | NAMPT | P43490 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL5474202 | 0.95 | ALDH1A1 (0.71) | CCR3DRD2DRD4KDM4EALDH1A1 | |
| SCHEMBL1384427 | 0.94 | ALDH1A1 (0.72) | CCR3DRD2DRD4KDM4EALDH1A1 | |
| SCHEMBL7132544 | 0.92 | DRD2 (0.74) | CCR3DRD2DRD4KDM4EALDH1A1 | |
| SCHEMBL10720274 | 0.91 | DRD2 (0.72) | CCR3DRD2DRD4KDM4EALDH1A1 | |
| SCHEMBL10723885 | 0.91 | DRD2 (0.72) | CCR3DRD2DRD4KDM4EALDH1A1 | |
| SCHEMBL10720221 | 0.91 | DRD2 (0.72) | CCR3DRD2DRD4KDM4EALDH1A1 | |
| SCHEMBL10723842 | 0.91 | DRD2 (0.72) | CCR3DRD2DRD4KDM4EALDH1A1 | |
| SCHEMBL10749846 | 0.91 | DRD2 (0.72) | CCR3DRD2DRD4KDM4EALDH1A1 | |
| SCHEMBL10723691 | 0.91 | ALDH1A1 (0.72) | CCR3DRD2DRD4KDM4EALDH1A1 | |
| SCHEMBL4502913 | 0.89 | CYP1A2 (0.73) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011121055-A1 | PYRIDINYL DERIVATIVES COMPRISING A CYANOGUANIDINE OR SQUARIC ACID MOIETY | TOPOTARGET A/S (DK) | 2011-10-06 | — | — | WO | disclosed |