Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | CSF1R | P07333 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3685781 | 0.83 | ADORA2A (0.51) | NPC1RAB9APKMALDH1A1HTR3A | |
| SCHEMBL5753256 | 0.77 | MAPT (0.51) | NPC1RAB9APKMALDH1A1HTR3A | |
| SCHEMBL2913155 | 0.76 | MAPT (0.56) | NPC1RAB9AALDH1A1HTR3ACSF1R | |
| SCHEMBL6868712 | 0.75 | TACR1 (0.58) | NPC1RAB9APKMALDH1A1HTR3A | |
| SCHEMBL3696108 | 0.75 | ALDH1A1 (0.50) | ALDH1A1HTR3ACSF1RCYP1A2MEN1 | |
| SCHEMBL3688350 | 0.75 | ALDH1A1 (0.52) | NPC1RAB9APKMALDH1A1CYP1A2 | |
| SCHEMBL3685663 | 0.74 | ALDH1A1 (0.56) | NPC1RAB9APKMALDH1A1HTR3A | |
| SCHEMBL3197069 | 0.74 | MAPT (0.61) | NPC1RAB9AALDH1A1HTR3AMEN1 | |
| SCHEMBL2908099 | 0.74 | SIRT6 (0.60) | ALDH1A1MAPK1 | |
| SCHEMBL2913153 | 0.74 | TACR1 (0.57) | ALDH1A1HTR3ACSF1RPDK2CYP1A2 |
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 |