Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Fluoride. 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 | 3/20 | 0.94 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.94 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | HTR6 | P50406 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | NT5E | P21589 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL125188 | 0.97 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| SCHEMBL1079321 | 0.97 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| SCHEMBL30812783 | 0.97 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| SCHEMBL597672 | 0.97 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| SCHEMBL2509 | 0.97 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| SCHEMBL30671620 | 0.97 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| SCHEMBL30307036 | 0.97 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| SCHEMBL3409457 | 0.97 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Benzene SCHEMBL9751882 | 0.97 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| SCHEMBL6909490 | 0.94 | TSHR (0.94) | TSHRSMN1; SMN2POLBCYP2D6HTR6 |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118702909-A | Perfluorinated sulfonic acid polymer and preparation method thereof, proton exchange membrane and application | 中国科学院宁波材料技术与工程研究所 | 2024-09-27 | — | — | CN | disclosed |
| CN-113540569-A | Electrolyte additive composition, electrolyte, and secondary battery | 恒大新能源技术(深圳)有限公司 | 2021-10-22 | — | — | CN | disclosed |
| WO-2019181645-A1 | COMPOUND, PRECURSOR TO COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL INCLUDING COMPOUND, AND ORGANIC ELECTRONIC DEVICE INCLUDING ORGANIC SEMICONDUCTOR MATERIAL | 国立大学法人大阪大学 | 2019-09-26 | — | — | WO | disclosed |
| WO-2019181646-A1 | MACROMOLECULAR COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL INCLUDING MACROMOLECULAR COMPOUND, AND ORGANIC ELECTRONIC DEVICE INCLUDING ORGANIC SEMICONDUCTOR MATERIAL | 国立大学法人大阪大学 | 2019-09-26 | — | — | WO | disclosed |
| WO-2019078040-A1 | COMPOUND, BONDED BODY OF SAME, AND ORGANIC SEMICONDUCTOR MATERIAL | 国立大学法人大阪大学 | 2019-04-25 | — | — | WO | disclosed |
| CN-109562944-A | hard mask composition | 亚历克斯·菲利普·格雷厄姆·罗宾逊 | 2019-04-02 | — | — | CN | disclosed |
| CN-102325880-B | Serine protease derivatives and their use in the prevention or treatment of coagulation disorders | INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) | 2014-10-01 | — | — | CN | disclosed |
| CN-102174080-B | Polypeptide with brain targeted medicine delivery characteristic and preparation method thereof | UNIV FUDAN | 2014-07-09 | — | — | CN | disclosed |
| CN-103492376-A | Bicyclic heterocycle compounds and their uses in therapy | ASTEX THERAPEUTICS LTD | 2014-01-01 | — | — | CN | disclosed |
| CN-102325880-A | Serine protease derivatives and their use in the prevention or treatment of coagulation disorders | INST NAT SANTE RECH MED | 2012-01-18 | — | — | CN | disclosed |
| CN-1374949-A | Muscarinic antagonists | SCHERING CORP (US) | 2002-10-16 | — | — | CN | disclosed |
| CN-1268138-A | Compounds | ASTRA PHARMA PROD (GB) | 2000-09-27 | — | — | CN | disclosed |
| US-5744678-A | NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY | NIPPON OIL CO., LTD. (JP) | 1998-04-28 | — | — | US | disclosed |
| EP-0439585-B1 | IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS | MAG GEORG MAYRHOFER & CO OHG (AT) | 1997-10-29 | — | — | EP | disclosed |
| EP-0758563-A1 | OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT | NIPPON OIL COMPANY, LTD. (JP) | 1997-02-19 | — | — | EP | disclosed |
| US-5196478-A | Polystyrene, assays | EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) | 1993-03-23 | — | — | US | disclosed |
| EP-0439585-A1 | IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS. | EPIPHARM ALLERGIE SERVICE (AT) | 1991-08-07 | — | — | EP | disclosed |
| WO-1991002768-A1 | IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS | EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) | 1991-03-07 | — | — | WO | disclosed |
| US-4565648-A | FOR PRODUCTION OF POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DE) | 1986-01-21 | — | — | US | disclosed |
| US-4060549-A | Process for preparing sulfonic acid fluorides | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-29 | — | — | US | disclosed |