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 | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 9/20 | 0.74 |
| ▸ | PDE4B known ✓ | Q07343 | 9/20 | 0.74 |
| ▸ | PDE4C known ✓ | Q08493 | 9/20 | 0.74 |
| ▸ | PDE4D known ✓ | Q08499 | 9/20 | 0.74 |
| ▸ | RAPGEF3 | O95398 | 4/20 | 0.81 |
| ▸ | TSHR | P16473 | 2/20 | 0.81 |
| ▸ | MAPT | P10636 | 2/20 | 0.81 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.81 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.81 |
| ▸ | LMNA | P02545 | 1/20 | 0.81 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.81 |
| ▸ | BLM | P54132 | 2/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | PRKACA | P17612 | 1/20 | 0.53 |
| ▸ | PRKACG | P22612 | 1/20 | 0.53 |
| ▸ | PRKACB | P22694 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29381703 | 0.90 | RAPGEF3 (1.00) | RAPGEF3TSHRMAPTPMP22HIF1A | |
| SCHEMBL22370441 | 0.89 | PDE4A (0.74) | RAPGEF3TSHRMAPTPMP22HIF1A | |
| SCHEMBL29379210 | 0.89 | PDE4A (0.79) | RAPGEF3TSHRMAPTPMP22HIF1A | |
| SCHEMBL29358957 | 0.89 | PDE4A (0.79) | RAPGEF3TSHRMAPTPMP22HIF1A | |
| SCHEMBL30237241 | 0.85 | PRKACA (0.64) | RAPGEF3TSHRMAPTPMP22HIF1A | |
| SCHEMBL5951342 | 0.85 | PDE4A (1.00) | RAPGEF3TSHRMAPTPMP22HIF1A | |
| SCHEMBL29384358 | 0.85 | PDE4A (1.00) | RAPGEF3TSHRMAPTPMP22HIF1A | |
| SCHEMBL29359388 | 0.85 | PDE4A (1.00) | RAPGEF3TSHRMAPTPMP22HIF1A | |
| SCHEMBL2713659 | 0.85 | PDE4A (1.00) | RAPGEF3TSHRMAPTPMP22HIF1A | |
| SCHEMBL16079734 | 0.85 | PDE4A (1.00) | RAPGEF3TSHRMAPTPMP22HIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240294587-A1 | K-RAS INHIBITOR | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2024-09-05 | — | — | US | disclosed |
| EP-4313110-A1 | K-RAS INHIBITOR | The Johns Hopkins University (US) | 2024-02-07 | — | — | EP | disclosed |
| WO-2022203981-A1 | K-RAS INHIBITOR | THE JOHNS HOPKINS UNIVERSITY (US) | 2022-09-29 | — | — | WO | disclosed |