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 | |
|---|---|---|---|---|
| ▸ | GABRP known ✓ | O00591 | 3/20 | 0.64 |
| ▸ | GABRD known ✓ | O14764 | 3/20 | 0.64 |
| ▸ | GABRA1 known ✓ | P14867 | 3/20 | 0.64 |
| ▸ | GABRB1 known ✓ | P18505 | 3/20 | 0.64 |
| ▸ | GABRG2 known ✓ | P18507 | 3/20 | 0.64 |
| ▸ | GABRB3 known ✓ | P28472 | 3/20 | 0.64 |
| ▸ | GABRA5 known ✓ | P31644 | 3/20 | 0.64 |
| ▸ | GABRA3 known ✓ | P34903 | 3/20 | 0.64 |
| ▸ | GABRA2 known ✓ | P47869 | 3/20 | 0.64 |
| ▸ | GABRB2 known ✓ | P47870 | 3/20 | 0.64 |
| ▸ | GABRA4 known ✓ | P48169 | 3/20 | 0.64 |
| ▸ | GABRE known ✓ | P78334 | 3/20 | 0.64 |
| ▸ | GABRA6 known ✓ | Q16445 | 3/20 | 0.64 |
| ▸ | GABRG1 known ✓ | Q8N1C3 | 3/20 | 0.64 |
| ▸ | GABRG3 known ✓ | Q99928 | 3/20 | 0.64 |
| ▸ | GABRQ known ✓ | Q9UN88 | 3/20 | 0.64 |
| ▸ | XDH known ✓ | P47989 | 2/20 | 0.64 |
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.64 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.64 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL737652 | 0.91 | CREB1 (0.70) | ABCB1CREB1MAPTCYP3A4CYP1A1 | |
| SCHEMBL10517788 | 0.89 | ABCB1 (0.66) | ABCB1CREB1MAPTCYP3A4CYP1A1 | |
| SCHEMBL11094925 | 0.88 | ABCB1 (0.64) | ABCB1CREB1MAPTCYP3A4CYP1A1 | |
| Baicalein SCHEMBL11094929 | 0.85 | ABCB1 (0.84) | ABCB1CREB1MAPTCYP3A4CYP1A1 | |
| SCHEMBL17663637 | 0.83 | CREB1 (0.81) | ABCB1CREB1MAPTCYP3A4CYP1A1 | |
| SCHEMBL22966703 | 0.81 | ABCB1 (0.60) | ABCB1CREB1MAPTCYP3A4CYP1A1 | |
| SCHEMBL22966699 | 0.80 | CREB1 (0.82) | ABCB1CREB1MAPTCYP3A4CYP1A1 | |
| SCHEMBL22966701 | 0.80 | ABCB1 (0.66) | ABCB1CREB1MAPTCYP3A4CYP1A1 | |
| Baicalein SCHEMBL5695785 | 0.79 | ABCB1 (1.00) | ABCB1CREB1MAPTCYP3A4CYP1A1 | |
| Baicalein SCHEMBL29385549 | 0.79 | ABCB1 (1.00) | ABCB1CREB1MAPTCYP3A4CYP1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0038674-B1 | MEDICINAL COMPOSITION FOR TREATMENT OF ALLERGIC DISEASES | Takeda Chemical Industries, Ltd. (JP) | 1989-08-30 | — | — | EP | disclosed |
| US-4358461-A | Antiallergic agent | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1982-11-09 | — | — | US | disclosed |
| EP-0038674-A1 | Medicinal composition for treatment of allergic diseases | Takeda Chemical Industries, Ltd. (JP) | 1981-10-28 | — | — | EP | disclosed |