Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.57 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 4/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9338681 | 0.84 | KMO (0.73) | KMODRD3ALDH1A1LMNAKMT2A | |
| SCHEMBL19862476 | 0.83 | KMO (0.70) | KMODRD3ALDH1A1LMNAKMT2A | |
| SCHEMBL2908064 | 0.77 | KMO (0.59) | KMODRD3ALDH1A1LMNAKMT2A | |
| Acetophenone SCHEMBL6936070 | 0.77 | NPC1 (0.44) | ALDH1A1LMNAKMT2ANPC1TDP1 | |
| SCHEMBL418439 | 0.74 | KMO (1.00) | KMODRD3ALDH1A1KMT2ASERPINE1 | |
| SCHEMBL20838768 | 0.74 | KCNH2 (0.48) | ALDH1A1NPC1 | |
| SCHEMBL14379232 | 0.74 | KCNH2 (0.48) | ALDH1A1NPC1 | |
| SCHEMBL17025330 | 0.74 | KCNH2 (0.48) | ALDH1A1NPC1 | |
| SCHEMBL14379229 | 0.74 | KCNH2 (0.48) | ALDH1A1NPC1 | |
| Resorcinol SCHEMBL27702446 | 0.73 | POLB (0.44) | ALDH1A1LMNAEPHX1 |
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 |