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 | |
|---|---|---|---|---|
| ▸ | TUBB4A known ✓ | P04350 | 2/20 | 0.61 |
| ▸ | TUBB known ✓ | P07437 | 2/20 | 0.61 |
| ▸ | TUBA3C known ✓ | P0DPH7 | 2/20 | 0.61 |
| ▸ | TUBA1B known ✓ | P68363 | 2/20 | 0.61 |
| ▸ | TUBA4A known ✓ | P68366 | 2/20 | 0.61 |
| ▸ | TUBB4B known ✓ | P68371 | 2/20 | 0.61 |
| ▸ | TUBB3 known ✓ | Q13509 | 2/20 | 0.61 |
| ▸ | TUBB2A known ✓ | Q13885 | 2/20 | 0.61 |
| ▸ | TUBB8 known ✓ | Q3ZCM7 | 2/20 | 0.61 |
| ▸ | TUBA3E known ✓ | Q6PEY2 | 2/20 | 0.61 |
| ▸ | TUBA1A known ✓ | Q71U36 | 2/20 | 0.61 |
| ▸ | TUBA1C known ✓ | Q9BQE3 | 2/20 | 0.61 |
| ▸ | TUBB6 known ✓ | Q9BUF5 | 2/20 | 0.61 |
| ▸ | TUBB2B known ✓ | Q9BVA1 | 2/20 | 0.61 |
| ▸ | TUBB1 known ✓ | Q9H4B7 | 2/20 | 0.61 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.43 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL997042 | 0.97 | TUBB4A (0.61) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL996236 | 0.93 | TUBB4A (0.61) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL996237 | 0.93 | TUBB4A (0.61) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL997107 | 0.92 | TUBB4A (0.61) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL997941 | 0.89 | TUBB4A (0.50) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL997044 | 0.89 | TUBB4A (0.61) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL997437 | 0.86 | TUBB1 (0.67) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL997438 | 0.86 | TUBB1 (0.67) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL999558 | 0.85 | TUBB1 (0.66) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL999559 | 0.85 | TUBB1 (0.66) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | claimed |
| WO-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | disclosed |