Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Tetrahydrofuran. 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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 4/20 | 0.48 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.48 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.36 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.77 |
| ▸ | TSHR | P16473 | 3/20 | 0.77 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.77 |
| ▸ | NPC1 | O15118 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | F2 | P00734 | 3/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11425495 | 0.88 | ALDH1A1 (1.00) | ALDH1A1TSHRALOX15NPC1KMT2A | |
| SCHEMBL3716417 | 0.88 | ALDH1A1 (1.00) | ALDH1A1TSHRALOX15NPC1KMT2A | |
| SCHEMBL20450 | 0.88 | ALDH1A1 (1.00) | ALDH1A1TSHRALOX15NPC1KMT2A | |
| Water SCHEMBL14994023 | 0.86 | ALDH1A1 (0.96) | ALDH1A1TSHRALOX15NPC1KMT2A | |
| Formaldehyde SCHEMBL18642101 | 0.85 | ALDH1A1 (0.93) | ALDH1A1TSHRALOX15NPC1KMT2A | |
| SCHEMBL7769594 | 0.78 | ALDH1A1 (0.79) | ALDH1A1TSHRALOX15NPC1KMT2A | |
| Dicyclohexylcarbodiimide SCHEMBL7591472 | 0.77 | ALDH1A1 (0.66) | ALDH1A1TSHRALOX15NPC1KMT2A | |
| SCHEMBL17374829 | 0.75 | ALDH1A1 (0.73) | ALDH1A1TSHRALOX15NPC1KMT2A | |
| SCHEMBL7946467 | 0.74 | ALDH1A1 (0.71) | ALDH1A1TSHRALOX15NPC1KMT2A | |
| Diethyl Pyrocarbonate SCHEMBL2316455 | 0.72 | ALDH1A1 (0.68) | ALDH1A1TSHRALOX15NPC1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0880531-B1 | SUBSTITUTED 2-PHENYLPYRIDINES | BASF AG (DE) | 2001-06-20 | — | — | EP | disclosed |