Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Guaiacol. 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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.60 |
| ▸ | CA2 | P00918 | 3/20 | 0.60 |
| ▸ | CA7 | P43166 | 2/20 | 0.60 |
| ▸ | CA9 | Q16790 | 2/20 | 0.60 |
| ▸ | CA12 | O43570 | 1/20 | 0.60 |
| ▸ | CA4 | P22748 | 1/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.60 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.50 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.48 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.48 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Guaiacol SCHEMBL9363005 | 0.95 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| Guaiacol SCHEMBL678968 | 0.95 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| Guaiacol SCHEMBL9419753 | 0.95 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| Guaiacol SCHEMBL3289583 | 0.95 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| Guaiacol SCHEMBL3288239 | 0.95 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| Guaiacol SCHEMBL9192643 | 0.81 | CA1 (0.44) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL29351917 | 0.76 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL5308636 | 0.76 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL105872 | 0.76 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL9793057 | 0.74 | CA1 (0.93) | CA1CA2CA7CA9CA12 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7087549-B2 | Calcium-based catalyst system | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2006-08-08 | — | — | US | claimed |
| US-20050181935-A1 | Calcium-based catalyst system | THE GOODYEAR TIRE & RUBBER COMPANY | 2005-08-18 | — | — | US | claimed |
| EP-0990670-B1 | Calcium-based catalyst system | GOODYEAR TIRE & RUBBER (US) | 2004-11-03 | — | — | EP | claimed |
| EP-0008607-B1 | OIL-FREE ELASTOMERIC POLY(ARYLOXYPHOSPHAZENE) COPOLYMERS | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1982-12-08 | — | — | EP | disclosed |
| US-4207403-A | NONFLAMMABLE COATINGS FOR WIRES | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1980-06-10 | — | — | US | disclosed |
| EP-0008607-A1 | Oil-free elastomeric poly(aryloxyphosphazene) copolymers | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1980-03-19 | — | — | EP | disclosed |
| US-4179555-A | CURING | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1979-12-18 | — | — | US | disclosed |
| US-4157425-A | LOW MOLECULAR WEIGHT, ALKOXIDE CATALYST, PHENOXIDE REPLACEMENT OF HALOGENS | ARMSTRONG CORK COMPANY (US) | 1979-06-05 | — | — | US | disclosed |
| US-4124557-A | FLAME RETARDANTS, CYCLOPHOSPHAZENES, CURING | ARMSTRONG CORK COMPANY (US) | 1978-11-07 | — | — | US | disclosed |
| US-4124567-A | ALKALI METAL OR ALKALINE EARTH METAL ALCOHOLATES | ARMSTRONG CORK COMPANY (US) | 1978-11-07 | — | — | US | disclosed |
| US-4116891-A | FROM CYCLIC HALOPHOSPHAZENES, LEWIS ACID | ARMSTRONG CORK COMPANY (US) | 1978-09-26 | — | — | US | disclosed |
| US-4108805-A | FIRE RETARDANT | ARMSTRONG CORK COMPANY (US) | 1978-08-22 | — | — | US | disclosed |
| US-4107108-A | FOAMED FIRE-RETARDANT | ARMSTRONG CORK COMPANY (US) | 1978-08-15 | — | — | US | disclosed |
| US-4076658-A | BLOWING AGENT | ARMSTRONG CORK COMPANY (US) | 1978-02-28 | — | — | US | disclosed |
| US-4073824-A | FIRE RETARDANT, NONSMOKING | ARMSTRONG CORK COMPANY (US) | 1978-02-14 | — | — | US | disclosed |
| US-4055520-A | FIRE RETARDANT | ARMSTRONG CORK COMPANY (US) | 1977-10-25 | — | — | US | disclosed |
| US-4055545-A | SOLID CARBOXYLIC ACID | ARMSTRONG CORK COMPANY (US) | 1977-10-25 | — | — | US | disclosed |
| US-4055523-A | FIRE RETARDANT | ARMSTRONG CORK COMPANY (US) | 1977-10-25 | — | — | US | disclosed |
| US-4053456-A | CROSSLINKING, SMOKELESS | ARMSTRONG CORK COMPANY (US) | 1977-10-11 | — | — | US | disclosed |
| US-4026838-A | INCORPORATING A SOLID CARBOXYLIC ACID | ARMSTRONG CORK COMPANY (US) | 1977-05-31 | — | — | US | disclosed |