Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL16142712 | 0.95 | DRD2 (0.33) | DRD2DRD4DRD3HDAC3HTT | |
| SCHEMBL18531453 | 0.89 | LMNA (0.33) | DRD2DRD4DRD3HDAC3HTT | |
| SCHEMBL18531414 | 0.87 | LMNA (0.33) | DRD2DRD4DRD3HDAC3HTT | |
| SCHEMBL17771978 | 0.86 | SMN1; SMN2 (0.38) | HTTKDM4EALDH1A1HPGD | |
| SCHEMBL16142548 | 0.86 | GRIN1 (0.33) | GRIN1GRIN2AGRIN2BHDAC3FLT3 | |
| SCHEMBL16142686 | 0.86 | GRIN1 (0.32) | GRIN1GRIN2AGRIN2BHDAC3 | |
| SCHEMBL18531451 | 0.84 | FLT3 (0.31) | FLT3 | |
| SCHEMBL18531452 | 0.83 | BCHE (0.30) | — | |
| SCHEMBL17771976 | 0.82 | SIGMAR1 (0.34) | HTT | |
| SCHEMBL18531415 | 0.81 | BCHE (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3067345-A1 | ZWITTERION-CONTAINING ACRIDINIUM COMPOUNDS | Siemens Healthcare Diagnostics Inc. (US) | 2016-09-14 | — | — | EP | disclosed |
| EP-2501681-B1 | ZWITTERION-CONTAINING ACRIDINIUM COMPOUNDS | SIEMENS HEALTHCARE DIAGNOSTICS (US) | 2016-05-25 | — | — | EP | disclosed |