Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dienestrol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL5475642 | 0.78 | ESR2 (0.46) | CYP1A2MAPTCYP2C9CYP2C19MEN1 | |
| Dienestrol SCHEMBL2896848 | 0.74 | ESR1 (1.00) | ESR1CYP1A2MAPTCYP2C9CYP2C19 | |
| Dienestrol SCHEMBL52170 | 0.74 | ESR1 (1.00) | ESR1CYP1A2MAPTCYP2C9CYP2C19 | |
| Dienestrol SCHEMBL2896853 | 0.74 | ESR1 (1.00) | ESR1CYP1A2MAPTCYP2C9CYP2C19 | |
| Dienestrol SCHEMBL9317394 | 0.72 | ESR1 (0.94) | ESR1CYP1A2MAPTCYP2C9CYP2C19 | |
| Dienestrol SCHEMBL3716190 | 0.70 | ESR1 (0.90) | ESR1CYP1A2MAPTCYP2C9CYP2C19 | |
| Hydrogen Peroxide SCHEMBL65467 | 0.70 | TRPA1 (0.41) | MEN1LMNAKMT2AESR2ALDH1A1 | |
| SCHEMBL7979 | 0.70 | TRPA1 (0.39) | MEN1KMT2AALDH1A1 | |
| SCHEMBL452781 | 0.70 | TRPA1 (0.39) | MEN1KMT2AALDH1A1 | |
| SCHEMBL1760669 | 0.70 | TRPA1 (0.39) | MEN1KMT2AALDH1A1 |
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-1336345-B2 | USE OF PERFUME COMPOSITIONS AS SIDE SMOKE FLOW ODOR REDUCING AGENT IN A CIGARETTE | JAPAN TOBACCO INC (JP) | 2014-01-22 | — | — | EP | disclosed |
| EP-1336345-B1 | PERFUME COMPOSITIONS FOR DEODORIZING TOBACCO, TOBACCO DEODORIZING AGENTS AND CIGARETTE AND TOBACCO PACKAGES WITH LITTLE SIDE SMOKE FLOW ODOR | JAPAN TOBACCO INC (JP) | 2009-10-21 | — | — | EP | disclosed |
| US-7481891-B2 | Cigarette wrapper consisting of mandarin orange essential oil | JAPAN TOBACCO INC. (JP) | 2009-01-27 | — | — | US | disclosed |
| US-20030192562-A1 | Tobacco odor deodorizing perfume composition, tobacco odor deodorant, cigarette low in sidestream smoke odor, and tobacco package | JAPAN TOBACCO INC. (JP) | 2003-10-16 | — | — | US | disclosed |
| EP-1336345-A1 | PERFUME COMPOSITIONS FOR DEODORIZING TOBACCO, TOBACCO DEODORIZING AGENTS AND CIGARETTE AND TOBACCO PACKAGES WITH LITTLE SIDE SMOKE FLOW ODOR | JAPAN TOBACCO INC. (JP) | 2003-08-20 | — | — | EP | disclosed |