Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL4592687 | 0.86 | MEN1 (0.41) | KMT2AMEN1SMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL6256662 | 0.79 | CES2 (0.41) | CYP1A2POLBKMT2AHSD17B10RORC | |
| SCHEMBL29063359 | 0.76 | KDM4E (0.46) | POLBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL10598917 | 0.73 | CTSD (0.47) | KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL830792 | 0.73 | ALDH1A1 (0.59) | NPC1RAB9APOLBKMT2ASMN1; SMN2 | |
| SCHEMBL28757170 | 0.73 | NPSR1 (0.47) | CYP1A2NPC1RAB9APOLBKMT2A | |
| SCHEMBL1821350 | 0.71 | UTS2R (0.41) | POLBKMT2AMEN1SMN1; SMN2HSD17B10 | |
| SCHEMBL14842536 | 0.71 | RXRA (0.42) | ALDH1A1 | |
| SCHEMBL29063529 | 0.70 | CYP2C9 (0.43) | CYP1A2NPC1RAB9APOLBKMT2A | |
| SCHEMBL9514900 | 0.70 | ALDH1A1 (0.43) | POLBKMT2AMEN1SMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-116693529-A | Synthesis method of 2-aza [2.2.2] octane compound | 河南师范大学 | 2023-09-05 | — | — | CN | disclosed |