Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | DRD2 | P14416 | 2/20 | 0.52 |
| ▸ | DRD3 | P35462 | 2/20 | 0.52 |
| ▸ | ERN1 | O75460 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | HRH2 | P25021 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6449430 | 0.95 | ALDH1A1 (0.53) | CYP1A2CYP3A4CYP2C19ALDH1A1TSHR | |
| SCHEMBL3685752 | 0.91 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C19ALDH1A1TSHR | |
| SCHEMBL6438505 | 0.78 | HTR7 (0.50) | CYP3A4ALDH1A1CYP2D6MEN1KMT2A | |
| SCHEMBL3682212 | 0.78 | ERN1 (0.51) | CYP1A2CYP3A4CYP2C19ALDH1A1TSHR | |
| SCHEMBL3688350 | 0.76 | ALDH1A1 (0.52) | CYP1A2CYP3A4CYP2C19ALDH1A1TSHR | |
| SCHEMBL3683972 | 0.76 | DRD2 (0.51) | CYP1A2CYP3A4CYP2C19ALDH1A1TSHR | |
| SCHEMBL3697338 | 0.76 | MEN1 (0.46) | CYP1A2CYP3A4CYP2C19ALDH1A1TSHR | |
| SCHEMBL3688280 | 0.76 | MEN1 (0.46) | CYP1A2CYP3A4CYP2C19ALDH1A1TSHR | |
| SCHEMBL3686910 | 0.76 | ALDH1A1 (0.46) | CYP1A2CYP3A4CYP2C19ALDH1A1TSHR | |
| SCHEMBL3689004 | 0.76 | ALDH1A1 (0.46) | CYP1A2CYP3A4CYP2C19ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-7642367-B2 | Diamino-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2010-01-05 | — | — | US | disclosed |
| US-20060235073-A1 | Diamino-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2006-10-19 | — | — | US | disclosed |
| EP-1506158-A2 | DIAMINO-FUNCTIONAL CHALCONES | Lica Pharmaceuticals A/S (DK) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097576-A2 | DIAMINO-FUNCTIONAL CHALCONES | LICA PHARMACEUTICALS A/S (DK) | 2003-11-27 | — | — | WO | disclosed |