Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1644889 | 1.00 | CYP2C9 (0.47) | CYP2C9APPRAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL1644890 | 1.00 | CYP2C9 (0.47) | CYP2C9APPRAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL1911789 | 0.83 | CYP2C9 (0.65) | CYP2C9APPRAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL28620916 | 0.83 | CYP2C9 (0.65) | CYP2C9APPRAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL13123104 | 0.83 | CYP2C9 (0.65) | CYP2C9APPRAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL11192294 | 0.80 | CYP2C9 (0.43) | CYP2C9RAB9AL3MBTL1ALDH1A1KMT2A | |
| SCHEMBL14279177 | 0.76 | MAPT (0.42) | CYP2C9APPL3MBTL1ALDH1A1KMT2A | |
| SCHEMBL7188819 | 0.74 | ADORA2A (0.41) | CYP2C9APPRAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL18655709 | 0.72 | — | — | |
| SCHEMBL7618854 | 0.72 | — | — |
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-4987232-A | ONE POT, GOOD YIELD | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ, B.V. (NL) | 1991-01-22 | — | — | US | disclosed |