Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.67 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3693509 | 1.00 | ABCG2 (0.67) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL3687801 | 0.84 | TNFRSF1A (0.67) | ABCG2CYP1A1CYP1B1LMNASMN1; SMN2 | |
| SCHEMBL5915769 | 0.83 | ABCG2 (0.72) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL5915479 | 0.83 | ABCG2 (0.72) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL4855944 | 0.81 | ABCG2 (0.69) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL4852275 | 0.81 | ABCG2 (0.69) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL7102316 | 0.81 | ABCG2 (0.82) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL3684939 | 0.81 | TNFRSF1A (0.54) | ABCG2LMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL3687313 | 0.80 | TUBB1 (0.58) | ABCG2CYP1A1CYP1A2CYP1B1CYP3A4 | |
| SCHEMBL3686109 | 0.80 | MAOB (0.53) | ABCG2CYP1A1CYP1B1LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |