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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | USP14 | P54578 | 1/20 | 0.44 |
| ▸ | USP7 | Q93009 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11626968 | 0.85 | NOTUM (0.66) | NOTUMALDH1A1POLBSMN1; SMN2MAPK1 | |
| SCHEMBL11625877 | 0.84 | NOTUM (0.56) | NOTUMALDH1A1POLBSMN1; SMN2MAPK1 | |
| SCHEMBL11625228 | 0.82 | MAPK1 (0.54) | NOTUMALDH1A1POLBSMN1; SMN2MAPK1 | |
| SCHEMBL9251057 | 0.80 | POLB (0.51) | NOTUMALDH1A1POLBSMN1; SMN2MAPK1 | |
| SCHEMBL10816031 | 0.73 | RAB9A (0.43) | NOTUMALDH1A1SMN1; SMN2MAPK1MEN1 | |
| SCHEMBL10462718 | 0.73 | DHODH (0.39) | ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A | |
| SCHEMBL11624685 | 0.71 | NOTUM (0.68) | NOTUMALDH1A1POLBMEN1KMT2A | |
| SCHEMBL11626756 | 0.71 | NOTUM (0.63) | NOTUMALDH1A1POLBSMN1; SMN2MAPK1 | |
| SCHEMBL1980763 | 0.71 | NOTUM (1.00) | NOTUMALDH1A1SMN1; SMN2MAPK1MAPT | |
| SCHEMBL11623203 | 0.71 | NOTUM (0.66) | NOTUMALDH1A1POLBSMN1; SMN2USP14 |
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-4115101-A | PLANT GROWTH REGULATORS, CHEMICAL HYBRIDIZATION AGENTS | ROHM AND HAAS COMPANY (US) | 1978-09-19 | — | — | US | disclosed |
| US-4051142-A | PLANT GROWTH REGULATORS | ROHM AND HAAS COMPANY (US) | 1977-09-27 | — | — | US | disclosed |