Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.56 |
| ▸ | CA12 | O43570 | 4/20 | 0.56 |
| ▸ | CA7 | P43166 | 4/20 | 0.56 |
| ▸ | CA4 | P22748 | 3/20 | 0.56 |
| ▸ | TYR | P14679 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | CBS | P35520 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.50 |
| ▸ | POLH | Q9Y253 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | APEX1 | P27695 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.47 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.43 |
| ▸ | TUBB | P07437 | 1/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 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 | |
|---|---|---|---|---|
| SCHEMBL14401119 | 1.00 | CYP3A4 (0.56) | CYP3A4CA12CA7CA4TYR | |
| SCHEMBL14383525 | 0.94 | CYP3A4 (0.51) | CYP3A4CA12CA7CA4TYR | |
| SCHEMBL14401129 | 0.94 | CYP3A4 (0.51) | CYP3A4CA12CA7CA4TYR | |
| SCHEMBL14383519 | 0.94 | CYP3A4 (0.54) | CYP3A4CA12CA7CA4TYR | |
| SCHEMBL14384087 | 0.93 | CYP3A4 (0.54) | CYP3A4CA12CA7CA4TYR | |
| SCHEMBL14384094 | 0.93 | CYP3A4 (0.49) | CYP3A4CA12CA7CA4TYR | |
| SCHEMBL14401118 | 0.91 | CA12 (0.50) | CYP3A4CA12CA7CA4TYR | |
| SCHEMBL16892431 | 0.87 | CYP3A4 (0.55) | CYP3A4CA12CA7CA4TYR | |
| SCHEMBL18923447 | 0.85 | CYP3A4 (0.58) | CYP3A4CA12CA7CA4TYR | |
| SCHEMBL14401209 | 0.84 | EPHX2 (0.54) | CYP3A4CA12CA7TYRCA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1718658-B1 | FLAVONOID COMPLEXES COMPRISING CYCLODEXTRINS | MERCK PATENT GMBH (DE) | 2010-04-28 | — | — | EP | disclosed |