Known targets — ChEMBL curated mechanism
S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Tetradecane. 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 | 10/20 | 0.55 |
| ▸ | CA2 | P00918 | 10/20 | 0.55 |
| ▸ | CA9 | Q16790 | 8/20 | 0.55 |
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA7 | P43166 | 3/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.55 |
| ▸ | CA3 | P07451 | 2/20 | 0.55 |
| ▸ | CA4 | P22748 | 2/20 | 0.55 |
| ▸ | CA6 | P23280 | 2/20 | 0.55 |
| ▸ | CA5A | P35218 | 2/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.55 |
| ▸ | RECQL | P46063 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | FNTA | P49354 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Tetradecane SCHEMBL8470937 | 0.98 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL5070085 | 0.98 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL8496305 | 0.98 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| Octadecyl Sulfate SCHEMBL28099977 | 0.98 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| SCHEMBL4733240 | 0.98 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL25378782 | 0.98 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| SCHEMBL28680584 | 0.98 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL2477889 | 0.98 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| Octadecyl Sulfate SCHEMBL21647595 | 0.98 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL28906838 | 0.96 | CA1 (0.55) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1046390-A1 | Compositions and methods for cleaning and removing contaminants from hair | Calgon Corporation (US) | 2000-10-25 | — | — | EP | claimed |
| CN-108779193-A | The manufacturing method of copolymer and the manufacturing method of latex | 日本瑞翁株式会社 | 2018-11-09 | — | — | CN | disclosed |
| CN-108779257-A | Latex of synthetic rubber and method for producing same | 日本瑞翁株式会社 | 2018-11-09 | — | — | CN | disclosed |
| CN-108699251-A | The manufacturing method of polymer emulsion | 日本瑞翁株式会社 | 2018-10-23 | — | — | CN | disclosed |
| CN-108699252-A | Method for producing polymer latex | 日本瑞翁株式会社 | 2018-10-23 | — | — | CN | disclosed |
| EP-2484657-A2 | Compositions having hase rheology modifiers | Rhodia, Inc. (US) | 2012-08-08 | — | — | EP | disclosed |