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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.79 |
| ▸ | NPC1 | O15118 | 4/20 | 0.66 |
| ▸ | RAB9A | P51151 | 4/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | PKM | P14618 | 2/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.58 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.58 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.58 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.58 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.58 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6245092 | 0.89 | GAA (1.00) | GAANPC1RAB9ACYP1A2HSD17B10 | |
| SCHEMBL12426307 | 0.84 | GAA (0.82) | GAANPC1RAB9ACYP1A2HSD17B10 | |
| SCHEMBL9689348 | 0.82 | GAA (0.79) | GAANPC1RAB9ACYP1A2HSD17B10 | |
| SCHEMBL7006640 | 0.81 | GAA (0.79) | GAANPC1RAB9ACYP1A2HSD17B10 | |
| SCHEMBL4491035 | 0.81 | GAA (0.79) | GAANPC1RAB9ACYP1A2HSD17B10 | |
| SCHEMBL13968413 | 0.81 | GAA (0.77) | GAANPC1RAB9ACYP1A2HSD17B10 | |
| SCHEMBL22281652 | 0.80 | GAA (0.76) | GAANPC1RAB9ACYP1A2HSD17B10 | |
| SCHEMBL318557 | 0.80 | GAA (0.76) | GAANPC1RAB9ACYP1A2HSD17B10 | |
| SCHEMBL1430541 | 0.80 | GAA (0.76) | GAANPC1RAB9ACYP1A2HSD17B10 | |
| SCHEMBL8285860 | 0.80 | GAA (0.76) | GAANPC1RAB9ACYP1A2HSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0580633-B1 | HETEROCYCLIC AMINES USEFUL IN THE THERAPY OF ASTHMA AND INFLAMMATION OF THE RESPIRATORY TRACT | BOEHRINGER MANNHEIM ITALIA (IT) | 1998-06-17 | — | — | EP | disclosed |
| US-5453423-A | Heterocyclic amines useful in the therapy of asthma and imflammation of the respiratory tract | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1995-09-26 | — | — | US | disclosed |
| EP-0580633-A1 | HETEROCYCLIC AMINES USEFUL IN THE THERAPY OF ASTHMA AND INFLAMMATION OF THE RESPIRATORY TRACT | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1994-02-02 | — | — | EP | disclosed |
| WO-1992018478-A1 | HETEROCYCLIC AMINES USEFUL IN THE THERAPY OF ASTHMA AND INFLAMMATION OF THE RESPIRATORY TRACT | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-10-29 | — | — | WO | disclosed |