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 | 3/20 | 0.54 |
| ▸ | PDE4B known ✓ | Q07343 | 3/20 | 0.54 |
| ▸ | PDE4C known ✓ | Q08493 | 3/20 | 0.54 |
| ▸ | PDE4D known ✓ | Q08499 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | NPC1 | O15118 | 4/20 | 0.65 |
| ▸ | RAB9A | P51151 | 3/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | MMP2 | P08253 | 3/20 | 0.54 |
| ▸ | MMP3 | P08254 | 3/20 | 0.54 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6676795 | 0.88 | NPC1 (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL6674039 | 0.86 | ALDH1A1 (0.68) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL6673822 | 0.86 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL7253273 | 0.85 | ALDH1A1 (0.67) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL6674606 | 0.85 | NPC1 (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL29160472 | 0.84 | ALDH1A1 (0.90) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL6675659 | 0.83 | HTT (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL6680581 | 0.82 | PDPK1 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL6680199 | 0.81 | NPC1 (0.76) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL3242243 | 0.80 | ALDH1A1 (0.67) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 |
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-6639103-B1 | Enantiomerically enriched forms; resolving amino functiona-lized enantiomers | DSM N.V. (NL) | 2003-10-28 | — | — | US | disclosed |
| EP-1204636-A1 | 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES | DSM N.V. (NL) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001014327-A1 | 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES | DSM N.V. (NL) | 2001-03-01 | — | — | WO | disclosed |