Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LAP3 | P28838 | 2/20 | 0.35 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.34 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16286566 | 0.84 | FOLH1 (0.49) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL2482032 | 0.84 | FOLH1 (0.49) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL5349785 | 0.82 | TSHR (0.42) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL5349776 | 0.82 | TSHR (0.42) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL15945449 | 0.80 | TSHR (0.41) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL5744873 | 0.79 | TSHR (0.44) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL14560234 | 0.78 | LAP3 (0.36) | TSHRLAP3FOLH1ALDH1A1TDP1 | |
| SCHEMBL1781745 | 0.78 | LAP3 (0.36) | TSHRLAP3FOLH1ALDH1A1TDP1 | |
| SCHEMBL766233 | 0.77 | TSHR (0.56) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL14087827 | 0.77 | TSHR (0.56) | TSHRCHRM2CHRM4CHRM1TBXA2R |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0952140-B1 | 2-Hydroxy-5-methyl-hexan-3-one and 3-hydroxy-5-methyl-hexan-2-one | GIVAUDAN SA (CH) | 2004-04-28 | — | — | EP | claimed |
| US-6426108-B1 | CHLORINATION KETONE USING SULFURYL CHLORIDE; ESTERIFICATION; HYDROLYSIS | GIVAUDAN SA (CH) | 2002-07-30 | — | — | US | claimed |
| EP-0952140-A1 | Hydroxy-methyl-hexanones | Givaudan Roure (International) S.A. (CH) | 1999-10-27 | — | — | EP | claimed |
| EP-0952140-B1 | 2-Hydroxy-5-methyl-hexan-3-one and 3-hydroxy-5-methyl-hexan-2-one | GIVAUDAN SA (CH) | 2004-04-28 | — | — | EP | disclosed |
| US-6426108-B1 | CHLORINATION KETONE USING SULFURYL CHLORIDE; ESTERIFICATION; HYDROLYSIS | GIVAUDAN SA (CH) | 2002-07-30 | — | — | US | disclosed |
| US-6123974-A | 2-HYDROXY-5-METHYL-HEXAN-3-ONE AND MIXTURES WITH 3-HYDROXY-5-METHYL-HEXAN-2-ONE; USE AS FLAVORING AND MASKING AGENTS SUCH AS FOR SOYBEAN-BASED FOOD AND BEVERAGES | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2000-09-26 | — | — | US | disclosed |
| EP-0952140-A1 | Hydroxy-methyl-hexanones | Givaudan Roure (International) S.A. (CH) | 1999-10-27 | — | — | EP | disclosed |