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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.33 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9021773 | 0.90 | ALDH1A1 (0.49) | ALDH1A1KDM4ENPC1MAPTSMN1; SMN2 | |
| SCHEMBL9022081 | 0.89 | ALDH1A1 (0.48) | ALDH1A1KDM4ENPC1MAPTSMN1; SMN2 | |
| SCHEMBL9701679 | 0.89 | MAPT (0.49) | ALDH1A1KDM4ENPC1MAPTSMN1; SMN2 | |
| SCHEMBL9077435 | 0.78 | GAA (0.56) | MAPTTP53GAA | |
| SCHEMBL127064 | 0.75 | MAPT (0.61) | ALDH1A1KDM4ENPC1MAPTSMN1; SMN2 | |
| SCHEMBL9022073 | 0.75 | ALDH1A1 (0.36) | ALDH1A1KDM4ENPC1MAPTSMN1; SMN2 | |
| Ethametsulfuron Methyl SCHEMBL55796 | 0.75 | ALDH1A1 (0.59) | ALDH1A1KDM4ENPC1MAPTSMN1; SMN2 | |
| SCHEMBL9819170 | 0.74 | ALDH1A1 (0.52) | ALDH1A1KDM4ENPC1MAPTSMN1; SMN2 | |
| SCHEMBL10616900 | 0.74 | ALDH1A1 (0.58) | ALDH1A1KDM4ENPC1MAPTSMN1; SMN2 | |
| SCHEMBL9756153 | 0.73 | MAPT (0.53) | ALDH1A1KDM4ENPC1MAPTSMN1; SMN2 |
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-5585328-A | PLANT GROWTH REGULATORS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-12-17 | — | — | US | disclosed |
| US-5472933-A | Plant growth regulators | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-12-05 | — | — | US | disclosed |