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 | |
|---|---|---|---|---|
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.40 |
| ▸ | SCN1A known ✓ | P35498 | 2/20 | 0.39 |
| ▸ | SCN2A known ✓ | Q99250 | 2/20 | 0.39 |
| ▸ | SCN3A known ✓ | Q9NY46 | 2/20 | 0.39 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 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 | |
|---|---|---|---|---|
| SCHEMBL21291549 | 0.85 | CYP1A2 (0.46) | LMNACYP1A2CYP3A4MAOATSHR | |
| SCHEMBL1232253 | 0.85 | LMNA (0.46) | LMNACYP1A2CYP3A4MAOATSHR | |
| SCHEMBL28889391 | 0.85 | LMNA (0.46) | LMNACYP1A2CYP3A4MAOATSHR | |
| SCHEMBL5078448 | 0.85 | CYP1A2 (0.46) | LMNACYP1A2CYP3A4MAOATSHR | |
| SCHEMBL5078447 | 0.85 | LMNA (0.46) | LMNACYP1A2CYP3A4MAOATSHR | |
| SCHEMBL28959196 | 0.84 | CA1 (0.45) | TSHRMAPTALDH1A1ADRB2ADRB1 | |
| SCHEMBL28889387 | 0.80 | LMNA (0.41) | LMNACYP1A2CYP3A4MAOATSHR | |
| SCHEMBL28889419 | 0.80 | LMNA (0.41) | LMNACYP1A2CYP3A4MAOATSHR | |
| SCHEMBL29245402 | 0.74 | SCN1A (0.42) | LMNACYP1A2CYP3A4MAOATSHR | |
| Glutamic Acid SCHEMBL26114058 | 0.74 | CYP1A2 (0.55) | LMNACYP1A2CYP3A4MAOATSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115368262-A | Preparation method of folic acid key intermediate | 衡阳小桔制药有限公司 | 2022-11-22 | — | — | CN | claimed |
| CN-115368262-A | Preparation method of folic acid key intermediate | 衡阳小桔制药有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-115368262-A | Preparation method of folic acid key intermediate | 衡阳小桔制药有限公司 | 2022-11-22 | — | — | CN | disclosed |