Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCL12 | P48061 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3686655 | 1.00 | CXCL12 (0.52) | CXCL12MAPTNPC1MEN1MAPK1 | |
| SCHEMBL3685596 | 0.89 | PTGS1 (0.52) | CXCL12MAPTNPC1MEN1MAPK1 | |
| SCHEMBL3691669 | 0.89 | PTGS1 (0.52) | CXCL12MAPTNPC1MEN1MAPK1 | |
| SCHEMBL3688647 | 0.87 | MAPT (0.55) | CXCL12MAPTNPC1MEN1MAPK1 | |
| SCHEMBL3687524 | 0.87 | MAPT (0.55) | CXCL12MAPTNPC1MEN1MAPK1 | |
| SCHEMBL3689808 | 0.85 | MAOB (0.60) | CXCL12MAPTNPC1KMT2ACYP1B1 | |
| SCHEMBL3688869 | 0.85 | MAOB (0.60) | CXCL12MAPTNPC1KMT2ACYP1B1 | |
| SCHEMBL5915756 | 0.81 | CXCL12 (0.52) | CXCL12MAPTNPC1MEN1MAPK1 | |
| SCHEMBL5915743 | 0.81 | CXCL12 (0.52) | CXCL12MAPTNPC1MEN1MAPK1 | |
| SCHEMBL4852227 | 0.81 | KDM4E (0.56) | CXCL12MAPTNPC1KMT2AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060235073-A1 | Diamino-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2006-10-19 | — | — | US | claimed |
| 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 |