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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.37 |
| ▸ | MAOB | P27338 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 5/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3978257 | 0.91 | ACHE (0.38) | ACHEMAOBALDH1A1KDM4ELMNA | |
| SCHEMBL3974660 | 0.90 | ACHE (0.37) | ACHEMAOBALDH1A1KDM4ELMNA | |
| SCHEMBL3975526 | 0.73 | ALDH1A1 (0.51) | MAOBALDH1A1KDM4ELMNATSHR | |
| Hydrochloric Acid SCHEMBL3977815 | 0.73 | KDM4E (0.40) | ALDH1A1KDM4ELMNATSHRHPGD | |
| SCHEMBL11744513 | 0.68 | ACHE (0.46) | ACHEALDH1A1KDM4ELMNATSHR | |
| SCHEMBL3975813 | 0.64 | MTNR1A (0.40) | ALDH1A1MEN1KMT2A | |
| SCHEMBL11052189 | 0.64 | PTGS2 (0.35) | ALDH1A1KDM4ELMNATSHR | |
| SCHEMBL3975522 | 0.64 | ALDH1A1 (0.61) | MAOBALDH1A1KDM4ELMNATSHR | |
| SCHEMBL3975533 | 0.64 | ALDH1A1 (0.61) | MAOBALDH1A1KDM4ELMNATSHR | |
| SCHEMBL3982534 | 0.63 | KDM4E (0.44) | ALDH1A1KDM4ELMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-7569550-B2 | 14 and 15 membered ring compounds | GLAXO GROUP LIMITED (GB) | 2009-08-04 | — | — | US | disclosed |
| US-20070213283-A1 | Macrolides substituted at the 4\"-position | GLAXO GROUP LIMITED (GB) | 2007-09-13 | — | — | US | disclosed |
| US-20070185117-A1 | Novel 14 and 15 membrered ring compounds | GLAXO GROUP LIMITED (GB) | 2007-08-09 | — | — | US | disclosed |
| EP-1628988-B1 | NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS | GLAXO GROUP LTD (GB) | 2006-10-04 | — | — | EP | 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-20070185117-A1 | Novel 14 and 15 membrered ring compounds | CYP51A1, LSS, IL17A | ACHE 4374/4885MAOB 3274/4885ALDH1A1 2827/4885 |
| US-20070213283-A1 | Macrolides substituted at the 4\"-position | IL4, CYP51A1, IL17A | ACHE 4090/4885MAOB 2199/4885ALDH1A1 2288/4885 |
“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.