Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Rigosertib. 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 | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 4/20 | 1.00 |
| ▸ | MET | P08581 | 1/20 | 0.81 |
| ▸ | NQO2 | P16083 | 1/20 | 0.81 |
| ▸ | FECH | P22830 | 1/20 | 0.81 |
| ▸ | CLK3 | P49761 | 1/20 | 0.81 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.78 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.78 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.78 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.78 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.78 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.78 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.78 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.78 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.78 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.78 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.78 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Rigosertib SCHEMBL498729 | 1.00 | PLK1 (1.00) | PLK1METNQO2FECHCLK3 | |
| Rigosertib SCHEMBL29360545 | 1.00 | PLK1 (1.00) | PLK1METNQO2FECHCLK3 | |
| Rigosertib SCHEMBL29397572 | 0.90 | PLK1 (1.00) | PLK1METNQO2FECHCLK3 | |
| Rigosertib SCHEMBL498623 | 0.90 | PLK1 (1.00) | PLK1METNQO2FECHCLK3 | |
| SCHEMBL498448 | 0.90 | PLK1 (0.84) | PLK1METNQO2FECHCLK3 | |
| SCHEMBL498447 | 0.90 | PLK1 (0.84) | PLK1METNQO2FECHCLK3 | |
| Rigosertib SCHEMBL498624 | 0.90 | PLK1 (1.00) | PLK1METNQO2FECHCLK3 | |
| Rigosertib SCHEMBL498728 | 0.89 | PLK1 (0.98) | PLK1METNQO2FECHCLK3 | |
| Rigosertib SCHEMBL498730 | 0.89 | PLK1 (0.98) | PLK1METNQO2FECHCLK3 | |
| SCHEMBL15835693 | 0.85 | PLK1 (0.77) | PLK1METNQO2FECHCLK3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008027049-A1 | COMPOSITION AND METHODS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROME AND ACUTE MYELOID LEUKEMIA | TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2008-03-06 | — | — | WO | claimed |
| US-20180344736-A1 | METHODS AND MATERIALS FOR TREATING CANCER | ROCHESTER (US) | 2018-12-06 | — | — | US | disclosed |
| WO-2017044615-A1 | METHODS AND MATERIALS FOR TREATING CANCER | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2017-03-16 | — | — | WO | disclosed |
| WO-2006104668-A2 | COMPOSITION AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2006-10-05 | — | — | WO | disclosed |