Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.48 |
| ▸ | PPARG | P37231 | 3/20 | 0.48 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | RXRA | P19793 | 2/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.45 |
| ▸ | F7 | P08709 | 3/20 | 0.45 |
| ▸ | F3 | P13726 | 3/20 | 0.45 |
| ▸ | PPARA | Q07869 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | PPARD | Q03181 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Cis-3-Hexenol SCHEMBL28740459 | 0.88 | ALDH1A1 (0.50) | ALDH1A1CYP19A1PPARGOXER1MAPT | |
| Cis-3-Hexenol SCHEMBL245795 | 0.88 | ALDH1A1 (0.50) | ALDH1A1CYP19A1PPARGOXER1MAPT | |
| Cis-3-Hexenol SCHEMBL28042280 | 0.88 | ALDH1A1 (0.50) | ALDH1A1CYP19A1PPARGOXER1MAPT | |
| Cis-3-Hexenol SCHEMBL28510274 | 0.86 | ALDH1A1 (0.54) | ALDH1A1CYP19A1PPARGOXER1MAPT | |
| Cis-3-Hexenol SCHEMBL1448560 | 0.84 | ALDH1A1 (0.42) | ALDH1A1CYP19A1PPARGOXER1MAPT | |
| Cis-3-Hexenol SCHEMBL112920 | 0.84 | — | — | |
| Cis-3-Hexenol SCHEMBL96295 | 0.84 | — | — | |
| Cis-3-Hexenol SCHEMBL309687 | 0.84 | — | — | |
| Cis-3-Hexenol SCHEMBL1448556 | 0.84 | ALDH1A1 (0.42) | ALDH1A1CYP19A1PPARGOXER1MAPT | |
| Maleic Acid SCHEMBL27216250 | 0.84 | PPARA (0.55) | ALDH1A1CYP19A1PPARGOXER1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6258854-B1 | KETONE ETHERS FOR ODORS | GIVAUDAN ROURE ( INTERNATIONAL ) SA (CH) | 2001-07-10 | — | — | US | disclosed |
| EP-0983990-A2 | Ketones useful as precursors for organoleptic compounds | Givaudan Roure (International) S.A. (CH) | 2000-03-08 | — | — | EP | disclosed |