Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. 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 | |
|---|---|---|---|---|
| ▸ | HTR1D known ✓ | P28221 | 10/20 | 0.97 |
| ▸ | HTR1B known ✓ | P28222 | 9/20 | 0.97 |
| ▸ | HTR1A known ✓ | P08908 | 4/20 | 0.74 |
| ▸ | ADRA2A known ✓ | P08913 | 5/20 | 0.71 |
| ▸ | ADRA2B known ✓ | P18089 | 4/20 | 0.71 |
| ▸ | ADRA2C known ✓ | P18825 | 4/20 | 0.71 |
| ▸ | ADRA1D known ✓ | P25100 | 4/20 | 0.71 |
| ▸ | ADRA1A known ✓ | P35348 | 4/20 | 0.71 |
| ▸ | ADRA1B known ✓ | P35368 | 4/20 | 0.71 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.71 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.71 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.71 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.71 |
| ▸ | DRD3 known ✓ | P35462 | 2/20 | 0.71 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.71 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.71 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.71 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.71 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.71 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL953076 | 0.98 | HTR1D (1.00) | HTR1DHTR1BHTR1ACYP3A4BLM | |
| Hydrochloric Acid SCHEMBL7982906 | 0.87 | HTR1D (0.97) | HTR1DHTR1BHTR1ACYP3A4BLM | |
| Xylometazoline SCHEMBL41837 | 0.85 | HTR1A (1.00) | HTR1DHTR1BHTR1ACYP3A4BLM | |
| SCHEMBL953638 | 0.85 | HTR1D (0.76) | HTR1DHTR1BHTR1ACYP3A4BLM | |
| SCHEMBL7982884 | 0.85 | HTR1D (1.00) | HTR1DHTR1BHTR1ACYP3A4BLM | |
| SCHEMBL26078561 | 0.85 | HTR1D (0.76) | HTR1DHTR1BHTR1ACYP3A4BLM | |
| SCHEMBL13291743 | 0.84 | HTR1A (0.81) | HTR1DHTR1BHTR1ACYP3A4BLM | |
| Hydrochloric Acid SCHEMBL7983043 | 0.84 | HTR1D (0.97) | HTR1DHTR1BHTR1ACYP3A4BLM | |
| Xylometazoline SCHEMBL6436975 | 0.84 | HTR1A (0.97) | HTR1DHTR1BHTR1ACYP3A4BLM | |
| Xylometazoline SCHEMBL34087 | 0.83 | HTR1D (1.00) | HTR1DHTR1BHTR1ACYP3A4BLM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6288101-B1 | ADMINISTERING COMPOUNDS SUCH AS 2,6-DIMETHYL-4-ISOPROPYLBENZALDEHYDE TO TREAT INDICATIONS WHERE STIMULATION OF SUBTYPES OF THE SEROTONIN RECEPTOR IS IMPLICATED, SUCH AS MIGRAINES | VIRGINIA COMMONWEALTH UNIVERSITY | 2001-09-11 | — | — | US | disclosed |
| US-6124338-A | TREATING MIGRAINE HEADACHE | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-09-26 | — | — | US | disclosed |
| US-6048862-A | Benzylamidine derivatives with serotonin receptor binding activity | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-04-11 | — | — | US | disclosed |
| US-5969137-A | TREATMENT OF NERVOUS SYSTEM DISORDERS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1999-10-19 | — | — | US | disclosed |