Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | KIF11 | P52732 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5860569 | 0.75 | MAPT (0.44) | CYP1A2KIF11CYP2D6MAPTKMT2A | |
| SCHEMBL5861655 | 0.71 | KIF11 (0.43) | CYP1A2KIF11CYP2D6MAPTKMT2A | |
| SCHEMBL2237175 | 0.70 | KCNN4 (0.42) | CYP1A2KIF11CYP2D6LMNAMAPK1 | |
| SCHEMBL8501130 | 0.70 | CYP1A2 (0.45) | CYP1A2KIF11CYP2D6MAPTKMT2A | |
| SCHEMBL9286120 | 0.68 | CYP1A2 (0.45) | CYP1A2KIF11CYP2D6SRCMAPT | |
| SCHEMBL1566938 | 0.67 | CYP1A2 (0.52) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL7288198 | 0.67 | CYP1A2 (0.48) | CYP1A2KIF11CYP2D6SRCMAPT | |
| SCHEMBL4639976 | 0.67 | CYP1A2 (0.48) | CYP1A2KIF11CYP2D6SRCMAPT | |
| SCHEMBL6363313 | 0.67 | HDAC3 (0.50) | CYP1A2KIF11CYP2D6SRCMAPT | |
| SCHEMBL28959413 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5550263-A | PHOSPHOLIPID TO WHICH X-RAY CONTRAST AGENT HAS BEEN COVALENTLY LINKED BY ESTER OR AMIDE BOND | KARLSHAMNS LIPIDTEKNIK AB (SE) | 1996-08-27 | — | — | US | claimed |