Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.55 |
| ▸ | DPP4 | P27487 | 5/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.46 |
| ▸ | TNFRSF1A | P19438 | 4/20 | 0.46 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.46 |
| ▸ | SNCA | P37840 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6040836 | 0.88 | ABCG2 (0.49) | ABCG2DPP4CYP1A1CYP1B1NPC1 | |
| SCHEMBL6040833 | 0.88 | ABCG2 (0.49) | ABCG2DPP4CYP1A1CYP1B1NPC1 | |
| SCHEMBL6040701 | 0.81 | ABCG2 (0.52) | ABCG2DPP4CYP1A1CYP1B1NPC1 | |
| SCHEMBL6040704 | 0.81 | ABCG2 (0.52) | ABCG2DPP4CYP1A1CYP1B1NPC1 | |
| SCHEMBL4727718 | 0.76 | TNFRSF1A (0.68) | ABCG2TNFRSF1A | |
| SCHEMBL4727721 | 0.76 | TNFRSF1A (0.68) | ABCG2TNFRSF1A | |
| SCHEMBL6040885 | 0.75 | ABCG2 (0.56) | ABCG2DPP4CYP1A1CYP1B1NPC1 | |
| SCHEMBL6040880 | 0.75 | ABCG2 (0.56) | ABCG2DPP4CYP1A1CYP1B1NPC1 | |
| SCHEMBL6794186 | 0.75 | ABCG2 (0.53) | ABCG2DPP4CYP1A1CYP1B1NPC1 | |
| SCHEMBL6788300 | 0.75 | ABCG2 (0.53) | ABCG2DPP4CYP1A1CYP1B1NPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004056727-A2 | PROCESS OF MAKING CHALCONE DERIVATIVES | ATHEROGENICS, INC. (US) | 2004-07-08 | — | — | WO | disclosed |