Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 7/20 | 0.36 |
| ▸ | RXRA | P19793 | 7/20 | 0.36 |
| ▸ | RARG | P13631 | 6/20 | 0.36 |
| ▸ | RARA | P10276 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 6/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | RXRB | P28702 | 2/20 | 0.33 |
| ▸ | RXRG | P48443 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29827789 | 0.90 | CYP1A2 (0.40) | CYP1A2HAO1RARBRXRARARG | |
| SCHEMBL17129798 | 0.86 | CYP1A2 (0.44) | CYP1A2HAO1RARBRXRARARG | |
| SCHEMBL7702821 | 0.81 | ADORA3 (0.41) | CYP1A2HAO1RARBRXRARARG | |
| SCHEMBL11571615 | 0.80 | CYP1A2 (0.37) | CYP1A2HAO1RARBRXRARARG | |
| SCHEMBL11328784 | 0.79 | HAO1 (0.42) | CYP1A2HAO1RARBRXRARARG | |
| SCHEMBL7694400 | 0.79 | TSHR (0.43) | CYP1A2HAO1RARBRXRARARG | |
| SCHEMBL11467133 | 0.78 | HAO1 (0.41) | CYP1A2HAO1RARBRXRARARG | |
| SCHEMBL18308880 | 0.78 | CYP1A2 (0.41) | CYP1A2HAO1RARBRXRARARG | |
| SCHEMBL8034537 | 0.77 | CYP1A2 (0.49) | CYP1A2HAO1RARBRXRARARG | |
| SCHEMBL11316448 | 0.77 | CYP1A2 (0.40) | CYP1A2HAO1RARBRXRARARG |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0012436-B1 | PROCESS FOR HYDROGENATION OF 2,6,6-TRIMETHYL CYCLOHEXENE DERIVATIVES, PRODUCTS PRODUCED THEREBY AND ORGANOLEPTIC USES OF SAID PRODUCTS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-11-24 | — | — | EP | disclosed |
| US-4360032-A | Use of hydrogenated derivatives of 2,6,6-trimethyl-cyclohexene derivatives in augmenting or enhancing the aroma or taste of smoking tobacco and smoking tobacco articles | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-11-23 | — | — | US | disclosed |
| US-4324704-A | PERFUMES CONTAINING HYDROGENATION PRODUCTS OF DAMASCENONE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-04-13 | — | — | US | disclosed |
| US-4315953-A | Process for augmenting or enhancing the aroma or taste of raspberry flavored foodstuffs using 2,6,6-trimethylcyclohexene derivatives | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-02-16 | — | — | US | disclosed |
| US-4313842-A | FOR DETERGENTS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-02-02 | — | — | US | disclosed |
| US-4311754-A | FOR FABRIC SOFTENERS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-01-19 | — | — | US | disclosed |
| US-4292447-A | Process for hydrogenation of 2,6,6-trimethyl cyclohexene derivatives, products produced thereby and organoleptic uses of said products | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-09-29 | — | — | US | disclosed |
| EP-0012436-A1 | Process for hydrogenation of 2,6,6-trimethyl cyclohexene derivatives, products produced thereby and organoleptic uses of said products | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1980-06-25 | — | — | EP | disclosed |