Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Methylcyclopentane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.44 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Methylcyclopentane SCHEMBL4087874 | 1.00 | EPHX1 (0.44) | EPHX1FFAR3LCKFYNCYP1A2 | |
| Acetic Acid SCHEMBL4087167 | 0.97 | EPHX1 (0.48) | EPHX1FFAR3LCKFYNCYP1A2 | |
| Acetic Acid SCHEMBL4093239 | 0.97 | EPHX1 (0.48) | EPHX1FFAR3LCKFYNCYP1A2 | |
| Acetic Acid SCHEMBL938460 | 0.97 | EPHX1 (0.48) | EPHX1FFAR3LCKFYNCYP1A2 | |
| Methylcyclopentane SCHEMBL8746944 | 0.90 | EPHX1 (0.46) | EPHX1CYP1A2CES2CES1CA1 | |
| Bicarbonate SCHEMBL8913592 | 0.88 | EPHX1 (0.50) | EPHX1CYP1A2CES2CES1CA1 | |
| Bicarbonate SCHEMBL17847302 | 0.88 | EPHX1 (0.50) | EPHX1CYP1A2CES2CES1CA1 | |
| Bicarbonate SCHEMBL4695324 | 0.88 | EPHX1 (0.50) | EPHX1CYP1A2CES2CES1CA1 | |
| Acetone SCHEMBL9529315 | 0.88 | EPHX1 (0.50) | EPHX1CES2CES1CA1CA2 | |
| Acetic Acid SCHEMBL2803174 | 0.87 | FFAR3 (0.50) | EPHX1FFAR3LCKFYNCYP1A2 |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111087495-B | Hydrogenation catalyst for producing hydrogenated styrene-conjugated diene copolymer, method for producing hydrogenation catalyst, hydrogenation method, and hydrogenated copolymer | 中国石油化工股份有限公司 | 2023-03-14 | — | — | CN | claimed |
| CN-111085269-B | Hydrogenation catalyst for preparing cyclopentene by cyclopentadiene hydrogenation, preparation method and hydrogenation method thereof | 中国石油化工股份有限公司 | 2023-03-14 | — | — | CN | claimed |
| CN-111085273-B | Hydrogenation catalyst for preparing cyclopentene by cyclopentadiene hydrogenation, preparation method and hydrogenation method thereof | 中国石油化工股份有限公司 | 2023-02-28 | — | — | CN | claimed |
| CN-109689848-A | Spice composition | 奇华顿股份有限公司 | 2019-04-26 | — | — | CN | claimed |
| CN-107828000-A | A kind of method of styrene-isoprene-styrene triblock copolymer homogeneous catalytic hydrogenation | 山东玉皇化工有限公司 | 2018-03-23 | — | — | CN | claimed |
| CN-107597189-A | Hydrogenation catalyst for unsaturated bond polymer and its preparation method and application | 苏州双湖化工技术有限公司 | 2018-01-19 | — | — | CN | claimed |
| CN-104624236-B | Hydrogenation catalyst for olefine unsaturated bond containing polymer, preparation method and hydrogenation reaction method thereof | 中国石油化工股份有限公司 | 2017-02-15 | — | — | CN | claimed |
| CN-104624236-A | Hydrogenation catalyst for olefine unsaturated bond containing polymer, preparation method and hydrogenation reaction method thereof | CHINA PETROLEUM & CHEMICAL | 2015-05-20 | — | — | CN | claimed |
| JP-4216713-B2 | — | — | 2009-01-28 | — | — | JP | claimed |
| EP-1404324-A4 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT INC (US) | 2004-12-22 | — | — | EP | claimed |
| JP-2004536873-A | — | — | 2004-12-09 | — | — | JP | claimed |
| EP-1404324-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | Xenoport, Inc. (US) | 2004-04-07 | — | — | EP | claimed |
| WO-2002100347-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| CN-109689848-A | Spice composition | 奇华顿股份有限公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-107828000-A | A kind of method of styrene-isoprene-styrene triblock copolymer homogeneous catalytic hydrogenation | 山东玉皇化工有限公司 | 2018-03-23 | — | — | CN | disclosed |
| CN-107597189-A | Hydrogenation catalyst for unsaturated bond polymer and its preparation method and application | 苏州双湖化工技术有限公司 | 2018-01-19 | — | — | CN | disclosed |
| CN-101333264-A | Method for removing residual hydrogenation catalyst after hydrogenation for nonsaturated polymers | CHINA PETROCHEMICAL CO LTD (CN) | 2008-12-31 | — | — | CN | disclosed |
| EP-1404324-A4 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT INC (US) | 2004-12-22 | — | — | EP | disclosed |
| EP-1404324-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | Xenoport, Inc. (US) | 2004-04-07 | — | — | EP | disclosed |
| WO-2002100347-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2002-12-19 | — | — | WO | disclosed |