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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.37 |
| ▸ | MEN1 | O00255 | 5/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.33 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13283392 | 0.75 | ADH1A (0.47) | ALDH1A1NPSR1LMNAKMT2AMEN1 | |
| SCHEMBL4442140 | 0.75 | KMT2A (0.46) | ALDH1A1NPSR1LMNAPKMKMT2A | |
| SCHEMBL27793348 | 0.73 | ATM (0.33) | NPSR1KMT2AMEN1MAPK1SMN1; SMN2 | |
| SCHEMBL11584430 | 0.73 | THRA (0.40) | ALDH1A1NPSR1LMNAPKMKMT2A | |
| Zinc Ion SCHEMBL8204181 | 0.73 | THRA (0.40) | ALDH1A1NPSR1LMNAPKMKMT2A | |
| SCHEMBL13283389 | 0.72 | ADH1A (0.41) | NPSR1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL11036748 | 0.71 | NPSR1 (0.50) | ALDH1A1NPSR1KMT2AMEN1MAPK1 | |
| Hydrochloric Acid SCHEMBL11455931 | 0.69 | NPSR1 (0.36) | ALDH1A1NPSR1LMNAKMT2AMEN1 | |
| Bromide SCHEMBL11838016 | 0.69 | NPSR1 (0.49) | ALDH1A1NPSR1KMT2AMEN1MAPK1 | |
| Hydrochloric Acid SCHEMBL11448576 | 0.67 | NPSR1 (0.33) | ALDH1A1NPSR1LMNAKMT2AMEN1 |
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-2109632-A2 | MATERIAL COMPRISING POLYAZACYCLOALKANES GRAFTED ONTO POLYPROPYLENE FIBRES METHOD FOR PRODUCTION THEREOF AND METHOD FOR REMOVAL OF METAL CATIONS FROM A LIQUID | Commissariat à l'Energie Atomique (FR) | 2009-10-21 | — | — | EP | disclosed |
| WO-2008099114-A2 | MATERIAL COMPRISING POLYAZACYCLOALKANES GRAFTED ONTO POLYPROPYLENE FIBRES METHOD FOR PRODUCTION THEREOF AND METHOD FOR REMOVAL OF METAL CATIONS FROM A LIQUID | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2008-08-21 | — | — | WO | disclosed |