Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 2-Hydroxybenzoic Acid Butyl Ester. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.71 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Salicylic Acid SCHEMBL28286211 | 0.95 | TSHR (0.71) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Salicylic Acid SCHEMBL31387030 | 0.95 | TSHR (0.71) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Salicylic Acid SCHEMBL8927590 | 0.94 | ALDH1A1 (0.72) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Salicylic Acid SCHEMBL8927788 | 0.94 | ALDH1A1 (0.72) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| 2-Hydroxybenzoic Acid Hexyl Ester SCHEMBL28670575 | 0.94 | ALDH1A1 (0.72) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Salicylic Acid SCHEMBL8927567 | 0.94 | ALDH1A1 (0.72) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Salicylic Acid SCHEMBL8928015 | 0.94 | ALDH1A1 (0.72) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Salicylic Acid SCHEMBL8927883 | 0.94 | ALDH1A1 (0.72) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Salicylic Acid SCHEMBL996984 | 0.94 | ALDH1A1 (0.72) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| 2-Hydroxybenzoic Acid Butyl Ester SCHEMBL21753665 | 0.94 | TSHR (0.75) | TSHRTDP1L3MBTL1MAPK1CYP3A4 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114010521-A | Antibacterial and antiseptic composition with good taste, oral care solution and preparation method thereof | 重庆登康口腔护理用品股份有限公司 | 2022-02-08 | — | — | CN | claimed |
| WO-2023072179-A1 | OLEFIN POLYMERIZATION CATALYST COMPONENT, CATALYST SYSTEM, PREPOLYMERIZATION CATALYST COMPOSITION AND OLEFIN POLYMERIZATION METHOD | 中国石油化工股份有限公司 | 2023-05-04 | — | — | WO | disclosed |
| CN-114010521-A | Antibacterial and antiseptic composition with good taste, oral care solution and preparation method thereof | 重庆登康口腔护理用品股份有限公司 | 2022-02-08 | — | — | CN | disclosed |
| US-9108357-B2 | Multilayer decorative film | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-08-18 | — | — | US | disclosed |
| EP-2694698-A1 | A PROCESS FOR MULTI-LAYER CONTINUOUS ROLL-TO-ROLL COATING | Bayer Intellectual Property GmbH (DE) | 2014-02-12 | — | — | EP | disclosed |
| EP-2640581-A1 | MULTILAYER DECORATIVE FILM | Bayer Intellectual Property GmbH (DE) | 2013-09-25 | — | — | EP | disclosed |
| US-20130236719-A1 | MULTILAYER DECORATIVE FILM | COVESTRO DEUTSCHLAND AG (DE) | 2013-09-12 | — | — | US | disclosed |
| WO-2012136529-A1 | A PROCESS FOR MULTI-LAYER CONTINUOUS ROLL-TO-ROLL COATING | BAYER MATERIALSCIENCE AG (DE) | 2012-10-11 | — | — | WO | disclosed |
| EP-2508646-A1 | A process for multi-layer continuous roll-to-roll coating | Bayer Material Science AG (DE) | 2012-10-10 | — | — | EP | disclosed |
| WO-2012065966-A1 | MULTILAYER DECORATIVE FILM | BAYER MATERIALSCIENCE AG (DE) | 2012-05-24 | — | — | WO | disclosed |
| US-8168110-B2 | Method for producing a deep-drawn film part from a thermoplastic material | BAYER MATERIALSCIENCE AG (DE) | 2012-05-01 | — | — | US | disclosed |
| US-20100237544-A1 | METHOD FOR PRODUCING A DEEP-DRAWN FILM PART FROM A THERMOPLASTIC MATERIAL | BAYER MATERIALSCIENCE AG (DE) | 2010-09-23 | — | — | US | disclosed |