Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.48 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.67 |
| ▸ | MGAM | O43451 | 1/20 | 0.67 |
| ▸ | SI | P14410 | 1/20 | 0.67 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3200538 | 0.95 | GAA (0.67) | GAAMGAMSIMGAM2ALDH1A1 | |
| Zinc Ion SCHEMBL13278766 | 0.95 | GAA (0.67) | GAAMGAMSIMGAM2ALDH1A1 | |
| Potassium Ion SCHEMBL15423 | 0.95 | GAA (0.67) | GAAMGAMSIMGAM2ALDH1A1 | |
| Lithium Ion SCHEMBL15950284 | 0.95 | GAA (0.67) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL13278768 | 0.95 | GAA (0.67) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL5749896 | 0.95 | GAA (0.67) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL3196220 | 0.95 | GAA (0.67) | GAAMGAMSIMGAM2ALDH1A1 | |
| Lithium Ion SCHEMBL3201231 | 0.95 | GAA (0.67) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL29455991 | 0.95 | GAA (0.67) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL1068041 | 0.95 | GAA (0.67) | GAAMGAMSIMGAM2ALDH1A1 |
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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118955316-A | Preparation method of roflumilast intermediate | 石家庄龙泽制药股份有限公司 | 2024-11-15 | — | — | CN | claimed |
| CN-117510426-B | Synthesis method of anticoccidial veterinary drug triazine ring | 山东国邦药业有限公司 | 2024-04-19 | — | — | CN | claimed |
| CN-117510426-A | Synthesis method of anticoccidial veterinary drug triazine ring | 山东国邦药业有限公司 | 2024-02-06 | — | — | CN | claimed |
| CN-112920138-B | Preparation method of timolol impurity | 成都摩尔生物医药有限公司 | 2023-03-07 | — | — | CN | claimed |
| CN-114315746-A | 3, 6-bis (dinitromethyl) -1,2,4, 5-tetrazine and synthetic method thereof | 南京理工大学 | 2022-04-12 | — | — | CN | claimed |
| EP-1878493-B1 | Method of making a polyisocyanurate/polyurethane foam using carbocation compounds as trimerization catalysts | AIR PROD & CHEM (US) | 2013-08-21 | — | — | EP | claimed |
| US-20080015274-A1 | Stabilized carbanions as trimerization catalysts | EVONIK OPERATIONS GMBH (DE) | 2008-01-17 | — | — | US | claimed |
| EP-1878493-A1 | Stabilized carbanions as trimerization catalysts | Air Products and Chemicals, Inc. (US) | 2008-01-16 | — | — | EP | claimed |
| EP-0346165-B1 | MESOMORPHOUS POLYMERS WITH SIDE CHAINS CONTAINING A MOTIVE OF TRANS(PHENYLENE 4-4' SUBSTITUTED)-2 DIOXANE 1,3 ALKENYL-5 | THOMSON RECHERCHE (FR) | 1992-05-27 | — | — | EP | claimed |
| US-5026900-A | Process for the preparation of dialkyl malonates | RHONE-POULENC (FR) | 1991-06-25 | — | — | US | claimed |
| JP-2104556-A | — | — | None | — | — | JP | disclosed |
| CN-115974872-B | Azacyclic derivatives, pharmaceutical compositions thereof and uses thereof | 南方科技大学 | 2025-05-02 | — | — | CN | disclosed |
| CN-118955316-A | Preparation method of roflumilast intermediate | 石家庄龙泽制药股份有限公司 | 2024-11-15 | — | — | CN | disclosed |
| CN-117510426-B | Synthesis method of anticoccidial veterinary drug triazine ring | 山东国邦药业有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-117510426-A | Synthesis method of anticoccidial veterinary drug triazine ring | 山东国邦药业有限公司 | 2024-02-06 | — | — | CN | disclosed |
| US-5294718-A | Platelet aggregation inhibitors; antiischemic agents; side effect reduction | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 1994-03-15 | — | — | US | disclosed |
| EP-0583136-A2 | Piperidino-3,4-dihydrocarbostyryl compounds for the treatment of ischemic disorders | Kissei Pharmaceutical Co., Ltd. (JP) | 1994-02-16 | — | — | EP | disclosed |
| US-5026900-A | Process for the preparation of dialkyl malonates | RHONE-POULENC (FR) | 1991-06-25 | — | — | US | disclosed |
| JP-H02104556-A | PREPARATION OF ALKYL MALONATE | RHONE POULENC CHIM | 1990-04-17 | — | — | JP | disclosed |
| US-4208420-A | ANALGESICS, VASOREGULATOR, SYMPATHETIC STIMULANTS | LABORATOIRES JACQUES LOGEAIS (FR) | 1980-06-17 | — | — | US | disclosed |