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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.43 |
| ▸ | THRA known ✓ | P10827 | 1/20 | 0.43 |
| ▸ | GSTP1 | P09211 | 15/20 | 0.65 |
| ▸ | GSTA1 | P08263 | 9/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.65 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 1/20 | 0.65 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.65 |
| ▸ | RECQL | P46063 | 1/20 | 0.65 |
| ▸ | MAP2K6 | P52564 | 1/20 | 0.65 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.65 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.65 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| Ethacrynic Acid SCHEMBL42210 | 0.87 | GSTP1 (0.76) | GSTP1GSTA1MEN1ABCC3PLIN1 | |
| SCHEMBL9717496 | 0.87 | GSTP1 (0.76) | GSTP1GSTA1MEN1ABCC3PLIN1 | |
| SCHEMBL9717542 | 0.85 | GSTP1 (0.53) | GSTP1GSTA1MEN1ABCC3PLIN1 | |
| SCHEMBL8986308 | 0.84 | GSTP1 (0.71) | GSTP1GSTA1MEN1ABCC3PLIN1 | |
| SCHEMBL9717474 | 0.84 | GSTP1 (0.74) | GSTP1GSTA1MEN1ABCC3PLIN1 | |
| Ethacrynic Acid SCHEMBL18263238 | 0.83 | GSTP1 (0.86) | GSTP1GSTA1MEN1ABCC3PLIN1 | |
| SCHEMBL20088748 | 0.83 | GSTP1 (0.77) | GSTP1GSTA1MEN1ABCC3PLIN1 | |
| SCHEMBL9717476 | 0.82 | GSTP1 (0.73) | GSTP1GSTA1MEN1ABCC3PLIN1 | |
| SCHEMBL9717593 | 0.81 | GSTP1 (0.71) | GSTP1GSTA1MEN1ABCC3PLIN1 | |
| SCHEMBL9717544 | 0.80 | GSTP1 (0.69) | GSTP1GSTA1MEN1ABCC3PLIN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0240256-B1 | COMPOUNDS USEFUL IN TREATING SICKLE CELL ANEMIA | MERCK & CO. INC. (US) | 1992-04-29 | — | — | EP | disclosed |
| US-4731473-A | Compounds useful in treating sickle cell anemia | MERCK & CO., INC. (US) | 1988-03-15 | — | — | US | disclosed |
| US-4731381-A | Method of treating a person for sickle cell anemia | MERCK & CO., INC. (US) | 1988-03-15 | — | — | US | disclosed |
| EP-0240256-A2 | Compounds useful in treating sickle cell anemia | MERCK & CO. INC. (US) | 1987-10-07 | — | — | EP | disclosed |