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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
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 SCHEMBL691272 | 0.96 | TSHR (0.50) | TSHRLMNATP53CA5ACA5B | |
| Pentane SCHEMBL28023336 | 0.96 | TSHR (0.50) | TSHRLMNATP53CA5ACA5B | |
| Hexane SCHEMBL721223 | 0.92 | TP53 (0.59) | TSHRTP53CA5ACA5BCA1 | |
| Decane SCHEMBL13275986 | 0.89 | TSHR (0.57) | TSHRLMNATP53CA1CA2 | |
| Heptane SCHEMBL8024410 | 0.89 | TSHR (0.57) | TSHRLMNATP53CA1CA2 | |
| Hexane SCHEMBL25306909 | 0.89 | TP53 (0.56) | TSHRTP53CA5ACA5BCA1 | |
| Decane SCHEMBL13586006 | 0.89 | TSHR (0.57) | TSHRLMNATP53CA1CA2 | |
| Hexane SCHEMBL21802132 | 0.89 | TP53 (0.56) | TSHRTP53CA5ACA5BCA1 | |
| Dodecane SCHEMBL1939550 | 0.89 | TSHR (0.57) | TSHRLMNATP53CA1CA2 | |
| Sulfuric Acid SCHEMBL1484174 | 0.89 | TSHR (0.57) | TSHRLMNATP53CA1CA2 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119060534-A | Antibacterial polyamide and preparation method thereof | 上海凯赛生物技术股份有限公司 | 2024-12-03 | — | — | CN | claimed |
| US-20150132797-A1 | COMPOSITION, METHOD AND KIT FOR REDUCING BACKGROUND STAINING | LIFE TECHNOLOGIES CORP (US) | 2015-05-14 | — | — | US | claimed |
| EP-2421512-A1 | A NOVEL FORMULATION OF NAPROXEN | Iceutica Pty Ltd. (AU) | 2012-02-29 | — | — | EP | claimed |
| WO-2010121326-A1 | A NOVEL FORMULATION OF NAPROXEN | ICEUTICA PTY LTD (AU) | 2010-10-28 | — | — | WO | claimed |
| US-20080038772-A1 | COMPOSITION, METHOD AND KIT FOR REDUCING BACKGROUND STAINING | INVITROGEN CORPORATION (US) | 2008-02-14 | — | — | US | claimed |
| US-20080038773-A1 | COMPOSITION, METHOD AND KIT FOR REDUCING BACKGROUND STAINING | INVITROGEN CORPORATION (US) | 2008-02-14 | — | — | US | claimed |
| CN-119060534-A | Antibacterial polyamide and preparation method thereof | 上海凯赛生物技术股份有限公司 | 2024-12-03 | — | — | CN | disclosed |
| CN-119060534-A | Antibacterial polyamide and preparation method thereof | 上海凯赛生物技术股份有限公司 | 2024-12-03 | — | — | CN | disclosed |
| CN-118703039-A | Antibacterial polyamide and preparation method thereof | 上海凯赛生物技术股份有限公司 | 2024-09-27 | — | — | CN | disclosed |
| CN-111628217-A | Electrolyte for lithium ion secondary battery, and module | 丰田自动车株式会社 | 2020-09-04 | — | — | CN | disclosed |
| CN-109937033-A | Composition with penetration enhancer for drug delivery | 儿童医学中心公司 | 2019-06-25 | — | — | CN | disclosed |
| CN-104981232-B | Bar soap compositions comprising zinc pyrithione and metal-pyridine oxide complex | 宝洁公司 | 2018-10-19 | — | — | CN | disclosed |
| EP-3338766-A1 | PRODUCTION OF ENCAPSULATED NANOPARTICLES AT HIGH VOLUME FRACTIONS | Iceutica Pty Ltd. (AU) | 2018-06-27 | — | — | EP | disclosed |
| WO-2017147410-A1 | COMPOUNDS THAT INHIBIT MCL-1 PROTEIN | AMGEN INC. (US) | 2017-08-31 | — | — | WO | disclosed |
| US-20150132797-A1 | COMPOSITION, METHOD AND KIT FOR REDUCING BACKGROUND STAINING | LIFE TECHNOLOGIES CORP (US) | 2015-05-14 | — | — | US | disclosed |
| US-20080038772-A1 | COMPOSITION, METHOD AND KIT FOR REDUCING BACKGROUND STAINING | INVITROGEN CORPORATION (US) | 2008-02-14 | — | — | US | disclosed |
| US-20080038773-A1 | COMPOSITION, METHOD AND KIT FOR REDUCING BACKGROUND STAINING | INVITROGEN CORPORATION (US) | 2008-02-14 | — | — | US | disclosed |
| US-20020068327-A1 | Lipolytic agent linked to a targeting agent. | TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE | 2002-06-06 | — | — | US | disclosed |
| US-6399355-B1 | LIPOLYTIC AGENT LINKED TO A TARGETING AGENT. | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2002-06-04 | — | — | US | disclosed |