Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CPA1 | P15085 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GSR | P00390 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6227187 | 0.75 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CPA1NPC1ADAM17 | |
| SCHEMBL4302729 | 0.74 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CPA1NPC1ADAM17 | |
| SCHEMBL4308169 | 0.71 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CPA1NPC1ADAM17 | |
| SCHEMBL4305771 | 0.71 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CPA1NPC1ADAM17 | |
| SCHEMBL4308166 | 0.71 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CPA1NPC1ADAM17 | |
| SCHEMBL4305768 | 0.71 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CPA1NPC1ADAM17 | |
| SCHEMBL28757481 | 0.70 | ALDH1A1 (0.64) | ALDH1A1CYP3A4CPA1NPC1ADAM17 | |
| SCHEMBL14338578 | 0.70 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CPA1MAPT | |
| SCHEMBL809461 | 0.70 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CPA1NPC1ADAM17 | |
| SCHEMBL813248 | 0.70 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CPA1NPC1ADAM17 |
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-2008127423-A2 | MICROENCAPSULATED CATALYST SYSTEMS | CORNELL RESEARCH FOUNDATION, INC. (US) | 2008-10-23 | — | — | WO | disclosed |