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 | 1/20 | 0.42 |
| ▸ | TUBB known ✓ | P07437 | 1/20 | 0.42 |
| ▸ | TUBA3C known ✓ | P0DPH7 | 1/20 | 0.42 |
| ▸ | TUBA1B known ✓ | P68363 | 1/20 | 0.42 |
| ▸ | TUBA4A known ✓ | P68366 | 1/20 | 0.42 |
| ▸ | TUBB4B known ✓ | P68371 | 1/20 | 0.42 |
| ▸ | TUBB3 known ✓ | Q13509 | 1/20 | 0.42 |
| ▸ | TUBB2A known ✓ | Q13885 | 1/20 | 0.42 |
| ▸ | TUBB8 known ✓ | Q3ZCM7 | 1/20 | 0.42 |
| ▸ | TUBA3E known ✓ | Q6PEY2 | 1/20 | 0.42 |
| ▸ | TUBA1A known ✓ | Q71U36 | 1/20 | 0.42 |
| ▸ | TUBA1C known ✓ | Q9BQE3 | 1/20 | 0.42 |
| ▸ | TUBB6 known ✓ | Q9BUF5 | 1/20 | 0.42 |
| ▸ | TUBB2B known ✓ | Q9BVA1 | 1/20 | 0.42 |
| ▸ | TUBB1 known ✓ | Q9H4B7 | 1/20 | 0.42 |
| ▸ | EDNRB known ✓ | P24530 | 2/20 | 0.39 |
| ▸ | EDNRA known ✓ | P25101 | 2/20 | 0.39 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.38 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4600089 | 0.98 | MAPK8 (0.44) | MAPTRXFP1TP53MAPK8TUBB4A | |
| SCHEMBL5161864 | 0.87 | MAPK8 (0.47) | MAPTRXFP1TP53MAPK8L3MBTL1 | |
| SCHEMBL5162772 | 0.87 | MAPK8 (0.45) | MAPTRXFP1TP53MAPK8TUBB4A | |
| SCHEMBL4592238 | 0.86 | MAPK8 (0.44) | MAPTRXFP1TP53MAPK8TUBB4A | |
| SCHEMBL5427868 | 0.84 | MAPK8 (0.43) | MAPTRXFP1TP53MAPK8TUBB4A | |
| SCHEMBL5174825 | 0.83 | MAPK8 (0.45) | MAPTMAPK8TUBB4ATUBBTUBA3C | |
| SCHEMBL5157621 | 0.83 | MAPK8 (0.45) | MAPTRXFP1TP53MAPK8TUBB4A | |
| SCHEMBL4591041 | 0.82 | MAPK8 (0.44) | MAPTRXFP1TP53MAPK8TUBB4A | |
| SCHEMBL4592507 | 0.82 | MAPK8 (0.44) | MAPTMAPK8TUBB4ATUBBTUBA3C | |
| SCHEMBL5159644 | 0.81 | MAPK8 (0.44) | MAPTRXFP1TP53MAPK8L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1750687-A2 | INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION | NIKEM RESEARCH S.R.L. (IT) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005105213-A2 | INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION | NIKEM RESEARCH S.R.L. (IT) | 2005-11-10 | — | — | WO | disclosed |