Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Pentane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 5/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Pentane SCHEMBL692006 | 0.96 | TSHR (0.54) | TSHRTP53LMNACA5ACA5B | |
| Hexane SCHEMBL25306909 | 0.93 | TP53 (0.56) | TSHRTP53CA5ACA5BCA1 | |
| Pentane SCHEMBL28023336 | 0.93 | TSHR (0.50) | TSHRTP53LMNACA5ACA5B | |
| Sulfuric Acid SCHEMBL11415405 | 0.90 | TP53 (0.54) | TSHRTP53LMNACA1CA2 | |
| Octane SCHEMBL1531331 | 0.90 | TP53 (0.54) | TSHRTP53LMNACA1CA2 | |
| Decane SCHEMBL3962533 | 0.90 | TP53 (0.54) | TSHRTP53LMNACA1CA2 | |
| Decane SCHEMBL13370386 | 0.90 | TP53 (0.54) | TSHRTP53LMNACA1CA2 | |
| Heptane SCHEMBL25209213 | 0.90 | TP53 (0.54) | TSHRTP53LMNACA1CA2 | |
| Dodecane SCHEMBL21806102 | 0.90 | TP53 (0.54) | TSHRTP53LMNACA1CA2 | |
| Pentadecane SCHEMBL11413596 | 0.90 | TP53 (0.54) | TSHRTP53LMNACA1CA2 |
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 183 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200390710-A1 | Method for the Production of Commercial Nanoparticle and Microparticle Powders | ICEUTICA PTY LTD. (AU) | 2020-12-17 | — | — | US | claimed |
| EP-2421510-B1 | PRODUCTION OF ENCAPSULATED NANOPARTICLES AT COMMERCIAL SCALE | ICEUTICA PTY LTD (AU) | 2019-07-31 | — | — | EP | claimed |
| US-20180251433-A1 | Novel formulation of metaxalone | ICEUTICA PTY LTD. (AU) | 2018-09-06 | — | — | US | claimed |
| US-20180243707-A1 | Production of encapsulated nanoparticles at high volume fractions | ICEUTICA PTY LTD. (AU) | 2018-08-30 | — | — | US | claimed |
| US-20180194759-A1 | NOVEL FORMULATION OF MELOXICAM | ICEUTICA PTY LTD. (AU) | 2018-07-12 | — | — | US | claimed |
| US-20170165203-A1 | Method for the Production of Commercial Nanoparticle and Microparticle Powders | ICEUTICA PTY LTD. | 2017-06-15 | — | — | US | claimed |
| US-20170100356-A1 | NOVEL FORMULATION OF DICLOFENAC | ICEUTICA PTY LTD. | 2017-04-13 | — | — | US | claimed |
| CN-105663045-A | Production of encapsulated nanoparticles at high volume fractions | 伊休蒂卡有限公司 | 2016-06-15 | — | — | CN | claimed |
| US-20160108009-A1 | Novel formulation of metaxalone | ICEUTICA PTY LTD. | 2016-04-21 | — | — | US | claimed |
| US-20160102086-A1 | NOVEL FORMULATION OF MELOXICAM | EMC CORPORATION (ON BEHALF OF ITSELF AND AS SUCCESSOR-IN-INTEREST TO MAGINATICS LLC) | 2016-04-14 | — | — | US | claimed |
| EP-2421530-A1 | A NOVEL FORMULATION OF METAXALONE | Iceutica Pty Ltd. (AU) | 2012-02-29 | — | — | EP | claimed |
| WO-2010121328-A1 | A NOVEL FORMULATION OF INDOMETHACIN | ICEUTICA PTY LTD (AU) | 2010-10-28 | — | — | WO | claimed |
| WO-2010121327-A1 | A NOVEL FORMULATION OF DICLOFENAC | ICEUTICA PTY LTD (AU) | 2010-10-28 | — | — | WO | claimed |
| WO-2010121326-A1 | A NOVEL FORMULATION OF NAPROXEN | ICEUTICA PTY LTD (AU) | 2010-10-28 | — | — | WO | claimed |
| WO-2010121325-A1 | A NOVEL FORMULATION OF MELOXICAM | ICEUTICA PTY LTD (AU) | 2010-10-28 | — | — | WO | claimed |
| WO-2010121324-A1 | A NOVEL FORMULATION OF METAXALONE | ICEUTICA PTY LTD (AU) | 2010-10-28 | — | — | WO | claimed |
| WO-2010121320-A1 | PRODUCTION OF ENCAPSULATED NANOPARTICLES AT HIGH VOLUME FRACTIONS | ICEUTICA PTY LTD (AU) | 2010-10-28 | — | — | WO | claimed |
| WO-2010121321-A1 | METHOD FOR IMPROVING THE DISSOLUTION PROFILE OF A BIOLOGICALLY ACTIVE MATERIAL | ICEUTICA PTY LTD (AU) | 2010-10-28 | — | — | WO | claimed |
| WO-2010121323-A1 | METHOD FOR THE PRODUCTION OF COMMERCIAL NANOPARTICLE AND MICROPARTICLE POWDERS | ICEUTICA PTY LTD (AU) | 2010-10-28 | — | — | WO | claimed |
| WO-2010121322-A1 | PRODUCTION OF ENCAPSULATED NANOPARTICLES AT COMMERCIAL SCALE | ICEUTICA PTY LTD (AU) | 2010-10-28 | — | — | WO | claimed |