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 | |
|---|---|---|---|---|
| ▸ | GABBR2 known ✓ | O75899 | 6/20 | 0.51 |
| ▸ | GABBR1 known ✓ | Q9UBS5 | 6/20 | 0.51 |
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.51 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.51 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.33 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL351660 | 0.81 | GABBR2 (0.57) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| SCHEMBL10507284 | 0.77 | GABBR2 (0.64) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| Hydrochloric Acid SCHEMBL10681987 | 0.75 | GABBR2 (0.62) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| Phaclofen SCHEMBL10343564 | 0.72 | LMNA (0.68) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| SCHEMBL1881772 | 0.71 | GABBR2 (0.54) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| SCHEMBL341755 | 0.70 | GABBR2 (0.56) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| SCHEMBL19803301 | 0.70 | GABBR2 (0.56) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| SCHEMBL9779274 | 0.70 | GABBR2 (0.61) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| SCHEMBL20694143 | 0.70 | GABBR2 (0.56) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| SCHEMBL20693672 | 0.70 | GABBR2 (0.56) | GABBR2GABBR1LMNACYP2C9CYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5457095-A | Treating diseases responsive to muscle stimulation; agonist for gamma-aminobutyric acid receptor | CIBA-GEIGY CORPORATION (US) | 1995-10-10 | — | — | US | disclosed |
| US-5243062-A | Muscle relaxants, analgesics, nervous system disorders, nootropics or antidepressants | CIBA-GEIGY CORPORATION (US) | 1993-09-07 | — | — | US | disclosed |
| US-5004826-A | Chemical Intermediates For Muscle Relaxants, Muscle Stimulants, Analgesics, Anticonvulsants, Antidepressants, Nootropics, And Drugs For Reducing Drug Withdrawal Symptoms | CIBA-GEIGY CORPORATION (US) | 1991-04-02 | — | — | US | disclosed |
| US-4908465-A | Ethyl phenyl-3-nitropropyl(diethoxymethyl)phosphinate derivatives | CIBA-GEIGY CORPORATION (US) | 1990-03-13 | — | — | US | disclosed |
| US-4772738-A | MUSCLE RELAXANTS, ANALGESICS, ANTICONVULSANTS, ANTIDEPRESSANT | CIBA-GEIGY CORPORATION (US) | 1988-09-20 | — | — | US | disclosed |
| US-4656298-A | MUSCLE RELAXANTS, STIMULANTS, ANALGESICS, ANTICONVULSANTS, ANTIDEPRESSANTS | CIBA-GEIGY CORPORATION (US) | 1987-04-07 | — | — | US | disclosed |
| EP-0181833-A1 | Substituted propane-phosphonous acid compounds | CIBA-GEIGY AG (CH) | 1986-05-21 | — | — | EP | disclosed |