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 | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.59 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.59 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.41 |
| ▸ | KMO | O15229 | 2/20 | 0.39 |
| ▸ | KDM6B | O15054 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5205068 | 0.96 | CYP2A6 (0.58) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL5717627 | 0.92 | CYP2A6 (0.62) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL28752068 | 0.87 | CYP2A6 (0.62) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL27599853 | 0.84 | CYP2A6 (0.65) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL5717535 | 0.83 | CYP2A6 (0.60) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL5717914 | 0.82 | CYP2A6 (0.65) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL5014459 | 0.81 | CYP2A6 (0.68) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL5717508 | 0.81 | CYP2A6 (0.63) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL7588204 | 0.80 | CYP2A6 (0.67) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL12478490 | 0.80 | CYP2A6 (0.76) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1363925-B8 | MACROLIDE ANTIBIOTICS | GLAXO GROUP LTD (GB) | 2007-04-25 | — | — | EP | disclosed |
| EP-1363925-B1 | MACROLIDE ANTIBIOTICS | GLAXO GROUP LTD (GB) | 2006-11-15 | — | — | EP | disclosed |
| US-20060211636-A1 | Macrolide Antibiotics | ALIHODZIC SULEJMAN | 2006-09-21 | — | — | US | disclosed |
| US-20040077557-A1 | Macrolide antibiotics | GLAXO GROUP LIMITED (GB) | 2004-04-22 | — | — | US | disclosed |
| EP-1363925-A1 | MACROLIDE ANTIBIOTICS | GLAXO GROUP LIMITED (GB) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002050091-A1 | MACROLIDE ANTIBIOTICS | GLAXO GROUP LIMITED (GB) | 2002-06-27 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060211636-A1 | Macrolide Antibiotics | IL1R1, MRPL12, RPS21 | CYP2A6 522/4885CYP2E1 651/4885CYP2C9 257/4885 |
| US-20040077557-A1 | Macrolide antibiotics | MALT1, MRPL21, IL1R1 | CYP2A6 562/4885CYP2E1 494/4885CYP2C9 353/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.