Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28595923 | 0.81 | EPHX2 (0.57) | NPC1TDP1KMT2AMEN1EPHX2 | |
| SCHEMBL7094216 | 0.81 | EPHX2 (0.57) | NPC1TDP1KMT2AMEN1EPHX2 | |
| SCHEMBL2438485 | 0.81 | EPHX2 (0.57) | NPC1TDP1KMT2AMEN1EPHX2 | |
| SCHEMBL1278317 | 0.81 | EPHX2 (0.57) | NPC1TDP1KMT2AMEN1EPHX2 | |
| SCHEMBL2439457 | 0.79 | MAPT (0.56) | NPC1TDP1KMT2AMEN1EPHX2 | |
| Hydrochloric Acid SCHEMBL27778609 | 0.78 | MAPT (0.54) | NPC1TDP1KMT2AMEN1EPHX2 | |
| Acetophenone SCHEMBL6936066 | 0.77 | KMO (0.57) | NPC1TDP1KMT2AALDH1A1LMNA | |
| SCHEMBL12987061 | 0.75 | EPHX1 (0.42) | KMT2AEPHX2ALDH1A1LMNA | |
| Acetophenone SCHEMBL27851028 | 0.73 | MMP2 (0.44) | NPC1TDP1KMT2AMEN1CYP2D6 | |
| SCHEMBL16178630 | 0.73 | NPC1 (0.54) | NPC1EPHX2RAB9AMAPTL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1294671-A2 | UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS | FIRMENICH SA (CH) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001096272-A2 | UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS | FIRMENICH SA (CH) | 2001-12-20 | — | — | WO | disclosed |