Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6157430 | 0.93 | CYP3A4 (0.58) | CYP3A4HSD17B10MAPTLMNAMEN1 | |
| SCHEMBL9585882 | 0.92 | CYP3A4 (0.48) | CYP3A4HSD17B10MAPTLMNAMEN1 | |
| SCHEMBL7574108 | 0.91 | CYP3A4 (0.56) | CYP3A4HSD17B10MAPTLMNAMEN1 | |
| SCHEMBL9126115 | 0.87 | CYP3A4 (0.60) | CYP3A4MAPTLMNAALDH1A1CYP2D6 | |
| SCHEMBL9263319 | 0.85 | CYP3A4 (0.59) | CYP3A4HSD17B10MAPTLMNAMEN1 | |
| SCHEMBL8248139 | 0.85 | CYP3A4 (0.59) | CYP3A4HSD17B10MAPTLMNAMEN1 | |
| SCHEMBL11000389 | 0.85 | CYP3A4 (0.57) | CYP3A4LMNAALDH1A1CYP2D6SLC6A4 | |
| Hydrochloric Acid SCHEMBL8497507 | 0.84 | CYP3A4 (0.58) | CYP3A4HSD17B10MAPTLMNAMEN1 | |
| SCHEMBL3572819 | 0.84 | KMT2A (0.49) | CYP3A4HSD17B10MAPTLMNAMEN1 | |
| SCHEMBL11732644 | 0.83 | CYP3A4 (0.56) | CYP3A4HSD17B10MAPTLMNAMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0180745-A1 | Acylacetate and amidine intermediates for pyrimidone compounds, and their preparation | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1986-05-14 | — | — | EP | claimed |
| US-6348618-B1 | PREPARING ORGANOLEPTIC OR ANTIMICROBIAL COMPOUNDS BY CONTACTING BETA-KETO ESTER WITH MATERIAL SELECTED FROM BACTERIA, ENZYMES, AND MATERIAL HAVING ACIDIC OR ALKALINE PH, ELEVATING TEMPERATURE, EXPOSING TO LIGHT | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2002-02-19 | — | — | US | disclosed |
| US-6222062-B1 | USEFUL AS PRECURSORS FOR ORGANOLEPTIC COMPOUNDS, ESPECIALLY FOR FLAVORS, FRAGRANCES AND MASKING AGENTS AND ANTIMICROBIAL COMPOUNDS | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2001-04-24 | — | — | US | disclosed |
| EP-1090624-A2 | Beta ketoester | Givaudan SA (CH) | 2001-04-11 | — | — | EP | disclosed |
| EP-0911315-A1 | Beta-ketoester | Givaudan Roure (International) S.A. (CH) | 1999-04-28 | — | — | EP | disclosed |