Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 6/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL979997 | 0.94 | KDM4E (0.44) | KDM4EALDH1A1LMNAL3MBTL1CHRNA4 | |
| Hydrochloric Acid SCHEMBL980211 | 0.86 | KDM4E (0.47) | KDM4EALDH1A1LMNAL3MBTL1CHRNA4 | |
| SCHEMBL979999 | 0.84 | ALDH1A1 (0.43) | KDM4EALDH1A1LMNAL3MBTL1CHRNA4 | |
| SCHEMBL12923308 | 0.83 | KDM4E (0.48) | KDM4EALDH1A1LMNAL3MBTL1CHRNA4 | |
| SCHEMBL12949069 | 0.79 | ERCC5 (0.46) | KDM4EALDH1A1LMNANPSR1MAPT | |
| Trifluoroacetic Acid SCHEMBL978175 | 0.77 | KDM4E (0.42) | KDM4EALDH1A1LMNAL3MBTL1CHRNA4 | |
| SCHEMBL978042 | 0.72 | KDM4E (0.46) | KDM4EALDH1A1LMNAL3MBTL1CHRNA4 | |
| Iodide SCHEMBL979604 | 0.71 | KDM4E (0.45) | KDM4EALDH1A1LMNAL3MBTL1CHRNA4 | |
| SCHEMBL2109722 | 0.70 | ALDH1A1 (0.69) | KDM4EALDH1A1LMNAL3MBTL1CHRNA4 | |
| SCHEMBL978176 | 0.69 | KDM4E (0.43) | KDM4EALDH1A1LMNAL3MBTL1CHRNA4 |
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-8680282-B2 | Cyclic inhibitors of carnitine palmitoyltransferase and treating cancer | UNIVERSITY HEALTH NETWORK (CA) | 2014-03-25 | — | — | US | disclosed |