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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.70 |
| ▸ | DRD3 | P35462 | 3/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | DRD2 | P14416 | 2/20 | 0.70 |
| ▸ | HTR2B | P41595 | 2/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.70 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.70 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.70 |
| ▸ | HTR3B | O95264 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | MPO | P05164 | 1/20 | 0.70 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.70 |
| ▸ | DRD4 | P21917 | 1/20 | 0.70 |
| ▸ | HTR2A | P28223 | 1/20 | 0.70 |
| ▸ | HTR2C | P28335 | 1/20 | 0.70 |
| ▸ | HTR3A | P46098 | 1/20 | 0.70 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL11329339 | 0.98 | ADRA2A (0.70) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL11319355 | 0.88 | ADRA2A (0.73) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL11328664 | 0.87 | RAB9A (0.73) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL11311057 | 0.87 | ADRA2A (0.74) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL11311011 | 0.87 | ADRA2A (0.74) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL11307398 | 0.86 | RAB9A (0.75) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL11313420 | 0.86 | ADRA2A (0.77) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL17068287 | 0.83 | ADRA2A (0.76) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| Metoclopramide SCHEMBL18629 | 0.82 | HTR4 (1.00) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| Metoclopramide SCHEMBL28222039 | 0.82 | HTR4 (1.00) | ADRA2ACYP2D6DRD3LMNACYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4279836-A | Hydroxamic acid derivative and method of preparing metoclopramide using same | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1981-07-21 | — | — | US | disclosed |