Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Orthocresol. 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 | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.42 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.42 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Orthocresol SCHEMBL11464146 | 0.85 | AKR1B1 (0.48) | AKR1B1KDM4EALDH1A1HPGDHSD17B10 | |
| Orthocresol SCHEMBL29233113 | 0.85 | KDM4E (0.54) | AKR1B1KDM4EALDH1A1HPGDHSD17B10 | |
| Orthocresol SCHEMBL6566573 | 0.84 | TRPA1 (0.50) | AKR1B1KDM4EALDH1A1HPGDHSD17B10 | |
| Catechol SCHEMBL27688308 | 0.84 | AKR1B1 (0.56) | AKR1B1KDM4EALDH1A1HPGDHSD17B10 | |
| Orthocresol SCHEMBL28747710 | 0.84 | TRPA1 (0.50) | AKR1B1KDM4EALDH1A1HPGDHSD17B10 | |
| Glycine SCHEMBL27657754 | 0.84 | TRPA1 (0.65) | AKR1B1KDM4EALDH1A1HPGDHSD17B10 | |
| Orthocresol SCHEMBL14856303 | 0.82 | TRPA1 (0.48) | AKR1B1KDM4EALDH1A1HPGDHSD17B10 | |
| Orthocresol SCHEMBL4080689 | 0.82 | TRPA1 (0.48) | AKR1B1KDM4EALDH1A1HPGDHSD17B10 | |
| Orthocresol SCHEMBL10349755 | 0.82 | ALDH1A1 (0.56) | KDM4EALDH1A1HPGDHSD17B10TSHR | |
| Orthocresol SCHEMBL3862455 | 0.82 | TRPA1 (0.57) | KDM4EALDH1A1HPGDHSD17B10TSHR |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7059206-B1 | Aquatic passive sampling device and methods for its use | UNIVERSITY OF PORTSMOUTH (GB) | 2006-06-13 | — | — | US | claimed |
| WO-2001014852-A9 | AQUATIC PASSIVE SAMPLING DEVICE AND METHODS FOR ITS USE | UNIV PORTSMOUTH (GB) | 2002-09-06 | — | — | WO | claimed |
| EP-1224451-A1 | AQUATIC PASSIVE SAMPLING DEVICE AND METHODS FOR ITS USE | University of Portsmouth (GB) | 2002-07-24 | — | — | EP | claimed |
| WO-2001014852-A1 | AQUATIC PASSIVE SAMPLING DEVICE AND METHODS FOR ITS USE | UNIVERSITY OF PORTSMOUTH (GB) | 2001-03-01 | — | — | WO | claimed |
| US-12007376-B2 | Method for determining a concentration of a synthesis component in a radiopharmaceutical sample | TRACE-ABILITY, INC. (US) | 2024-06-11 | — | — | US | disclosed |
| US-11846621-B2 | Method of determining radiation characteristic of a sample | TRACE-ABILITY, INC. (US) | 2023-12-19 | — | — | US | disclosed |
| US-20210102929-A1 | METHOD FOR DETERMINING A CONCENTRATION OF A SYNTHESIS COMPONENT IN A RADIOPHARMACEUTICAL SAMPLE | TRACE ABILITY INC (US) | 2021-04-08 | — | — | US | disclosed |
| US-20210048422-A1 | Method Of Determining Radiation Characteristic Of A Sample | TRACE ABILITY INC (US) | 2021-02-18 | — | — | US | disclosed |
| US-10895563-B2 | Palette-based systems for analyte characterization | TRACE-ABILITY, INC. (US) | 2021-01-19 | — | — | US | disclosed |
| US-10422779-B2 | Carbon dioxide chemical sensor having amino acid-based compound and carbon dioxide detection method using the same | GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2019-09-24 | — | — | US | disclosed |
| US-10309947-B2 | System and method for radiosynthesis, quality control and dose dispensing | TRACE-ABILITY, INC. (US) | 2019-06-04 | — | — | US | disclosed |
| US-10227258-B2 | Shrinkage-reducing agent for hydraulic material | NIPPON SHOKUBAI CO., LTD. (JP) | 2019-03-12 | — | — | US | disclosed |
| WO-2001014852-A1 | AQUATIC PASSIVE SAMPLING DEVICE AND METHODS FOR ITS USE | UNIVERSITY OF PORTSMOUTH (GB) | 2001-03-01 | — | — | WO | disclosed |
| EP-0880503-A1 | BALANOL ANALOGUES | Phytera Symbion ApS (DK) | 1998-12-02 | — | — | EP | disclosed |
| EP-0862578-A1 | ACTINOMYCIN D ANALOGUES | Phytera Symbion ApS (DK) | 1998-09-09 | — | — | EP | disclosed |
| WO-1997029091-A1 | BALANOL ANALOGUES | PHYTERA SYMBION APS (DK) | 1997-08-14 | — | — | WO | disclosed |
| WO-1997010263-A1 | ACTINOMYCIN D ANALOGUES | AUDA PHARMACEUTICALS APS (DK) | 1997-03-20 | — | — | WO | disclosed |
| US-5310631-A | Method of processing a silver halide photosensitive material containing a silver halide sensitized with a selenium sensitizer using a black-and-white developer containing a chelate complex salt of a transition metal | FUJI PHOTO FILM CO., LTD. (JP) | 1994-05-10 | — | — | US | disclosed |
| US-4084983-A | ALUMINUM FLAKES ON A COATING OF ALUMINUM HYDROXIDE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1978-04-18 | — | — | US | disclosed |
| US-4050945-A | METALLIC COMPOUND REACTANT, CHELATING COMPOUND REACTANT, BINDER | SUZUKI YOSHIO | 1977-09-27 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10422779-B2 | Carbon dioxide chemical sensor having amino acid-based compound and carbon dioxide detection method using the same | DAO, CA9, CA4 | AKR1B1 4087/4885KDM4E 1614/4885ALDH1A1 3157/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.