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 | |
|---|---|---|---|---|
| ▸ | XDH known ✓ | P47989 | 2/20 | 0.43 |
| ▸ | LTB4R | Q15722 | 17/20 | 0.84 |
| ▸ | LTB4R2 | Q9NPC1 | 12/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.44 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.44 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8949625 | 0.91 | LTB4R (0.71) | LTB4RLTB4R2KDM4EMEN1ALDH1A1 | |
| SCHEMBL8949538 | 0.91 | LTB4R (0.70) | LTB4RLTB4R2KDM4EMEN1ALDH1A1 | |
| SCHEMBL8949530 | 0.91 | LTB4R (0.70) | LTB4RLTB4R2KDM4EMEN1ALDH1A1 | |
| SCHEMBL8949584 | 0.90 | LTB4R (0.69) | LTB4RLTB4R2KDM4EMEN1ALDH1A1 | |
| SCHEMBL8949622 | 0.79 | LTB4R (1.00) | LTB4RLTB4R2 | |
| SCHEMBL10453901 | 0.77 | LTB4R (0.61) | LTB4RKDM4EMEN1ALDH1A1TP53 | |
| SCHEMBL8949594 | 0.76 | LTB4R (1.00) | LTB4RLTB4R2 | |
| SCHEMBL10454118 | 0.75 | LTB4R (0.58) | LTB4RKDM4EMEN1ALDH1A1TP53 | |
| SCHEMBL10452915 | 0.74 | LTB4R (0.58) | LTB4RKDM4EMEN1ALDH1A1TP53 | |
| SCHEMBL10453812 | 0.73 | LTB4R (0.57) | LTB4RKDM4EMEN1ALDH1A1TP53 |
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-5552441-A | ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AND RESPIRATORY SYSTEM DISORDERS | ELI LILLY AND COMPANY (US) | 1996-09-03 | — | — | US | disclosed |
| US-5324743-A | Leukotriene B4 antagonists | ELI LILLY AND COMPANY (US) | 1994-06-28 | — | — | US | disclosed |