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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6509396 | 0.87 | ALDH1A1 (0.66) | ALDH1A1TDP1HPGDMAPK1ATM | |
| SCHEMBL8186954 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TDP1HPGDMAPK1ATM | |
| SCHEMBL1156162 | 0.74 | LMNA (0.43) | ALDH1A1TDP1HPGDMAPK1LMNA | |
| SCHEMBL30632057 | 0.74 | LMNA (0.43) | ALDH1A1TDP1HPGDMAPK1LMNA | |
| SCHEMBL23440772 | 0.74 | ALDH1A1 (0.66) | ALDH1A1TDP1HPGDMAPK1ATM | |
| SCHEMBL30408335 | 0.74 | ALDH1A1 (0.66) | ALDH1A1TDP1HPGDMAPK1ATM | |
| SCHEMBL14133293 | 0.73 | MEN1 (0.77) | ALDH1A1TDP1HPGDMAPK1ATM | |
| Water SCHEMBL29064927 | 0.73 | LMNA (0.42) | ALDH1A1TDP1HPGDMAPK1LMNA | |
| SCHEMBL7932484 | 0.71 | ALDH1A1 (0.71) | ALDH1A1TDP1HPGDMAPK1ATM | |
| SCHEMBL10960723 | 0.71 | ALDH1A1 (0.71) | ALDH1A1TDP1HPGDMAPK1ATM |
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 |
|---|---|---|---|---|---|---|---|
| US-20050247237-A1 | Carbon material | DEGUSSA AG (DE) | 2005-11-10 | — | — | US | disclosed |
| EP-1586607-A1 | Carbon material | Degussa AG (DE) | 2005-10-19 | — | — | EP | disclosed |