Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3686497 | 0.75 | ALDH1A1 (0.40) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL3689253 | 0.73 | CYP2A6 (0.57) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL3688543 | 0.71 | HTR7 (0.44) | ALDH1A1KDM4E | |
| SCHEMBL6121307 | 0.70 | LMNA (0.41) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL3689552 | 0.69 | FLT3 (0.39) | ALDH1A1KDM4EMEN1CYP1A2CYP2D6 | |
| SCHEMBL646947 | 0.69 | ALDH1A1 (0.56) | ALDH1A1ALDH1A3CYP2A6KDM4E | |
| SCHEMBL708554 | 0.69 | ALDH1A1 (0.56) | ALDH1A1ALDH1A3CYP2A6KDM4E | |
| SCHEMBL15008733 | 0.68 | TAAR1 (0.55) | ALDH1A1TAAR1KDM4EKMT2A | |
| SCHEMBL21115197 | 0.66 | TAAR1 (0.54) | ALDH1A1CYP2A6TAAR1KDM4ECYP2D6 | |
| SCHEMBL13645995 | 0.66 | CYP2A6 (0.64) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 |
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 |