Known targets — ChEMBL curated mechanism
S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.57 |
| ▸ | CA2 | P00918 | 9/20 | 0.57 |
| ▸ | CA9 | Q16790 | 8/20 | 0.57 |
| ▸ | CA12 | O43570 | 3/20 | 0.57 |
| ▸ | CA7 | P43166 | 3/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.57 |
| ▸ | CA3 | P07451 | 2/20 | 0.57 |
| ▸ | CA4 | P22748 | 2/20 | 0.57 |
| ▸ | CA6 | P23280 | 2/20 | 0.57 |
| ▸ | CA5A | P35218 | 2/20 | 0.57 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.57 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Dodecylamine SCHEMBL28598629 | 1.00 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| Decylamine SCHEMBL1638837 | 1.00 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6903304 | 1.00 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6902649 | 1.00 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| SCHEMBL12005277 | 1.00 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| Dodecylamine SCHEMBL6899267 | 1.00 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6899256 | 1.00 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| Hexadecylamine SCHEMBL6903022 | 1.00 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| Hexadecylamine SCHEMBL6899912 | 1.00 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| Octadecyl Sulfate SCHEMBL6901036 | 1.00 | CA1 (0.57) | CA1CA2CA9CA12CA7 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2293056-A2 | A method for analysing a metabolic pathway | Target Discovery, Inc. (US) | 2011-03-09 | — | — | EP | disclosed |
| EP-1194768-A4 | POLYPEPTIDE FINGERPRINTING METHODS, METABOLIC PROFILING, AND BIOINFORMATICS DATABASE | TARGET DISCOVERY INC (US) | 2008-03-26 | — | — | EP | disclosed |
| US-7211376-B2 | Polypeptide fingerprinting methods | TARGET DISCOVERY, INC. (US) | 2007-05-01 | — | — | US | disclosed |
| US-20050089930-A1 | Polypeptide fingerprinting methods | TARGET DISCOVERY, INC. (US) | 2005-04-28 | — | — | US | disclosed |
| US-6677114-B1 | HIGH RESOLUTION, PRECISION AND SENSITIVITY PROTEOMICS; MULTIDIMENSIONAL CAPILLARY ELECTROPHORESIS, MASS SPECTRO-GRAPHIC FRAGMENTATION AND PROTEIN SEQUENCE TAG IDENTIFICATION | TARGET DISCOVERY, INC. | 2004-01-13 | — | — | US | disclosed |
| EP-1194768-A1 | POLYPEPTIDE FINGERPRINTING METHODS, METABOLIC PROFILING, AND BIOINFORMATICS DATABASE | Target Discovery, Inc. (US) | 2002-04-10 | — | — | EP | disclosed |
| WO-2000063683-A1 | POLYPEPTIDE FINGERPRINTING METHODS, METABOLIC PROFILING, AND BIOINFORMATICS DATABASE | TARGET DISCOVERY, INC. (US) | 2000-10-26 | — | — | WO | disclosed |