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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.37 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2497323 | 0.90 | MAPT (0.49) | MAPTMAOBKMT2AKDM4EALDH1A1 | |
| SCHEMBL2496402 | 0.90 | MAPT (0.48) | MAPTMAOBKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL2496779 | 0.88 | MAPT (0.47) | MAPTMAOBKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL2493689 | 0.86 | MAPT (0.49) | MAPTMAOBKMT2ATP53GAA | |
| SCHEMBL14837366 | 0.85 | MAPT (0.52) | MAPTMAOBKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL2497839 | 0.84 | MAPT (0.44) | MAPTMAOBKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL2498191 | 0.82 | MAPT (0.55) | MAPTMAOBKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL2497165 | 0.81 | MAPT (0.52) | MAPTMAOBKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL2497313 | 0.79 | TP53 (0.63) | MAPTMAOBKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL2499764 | 0.78 | MAPT (0.51) | MAPTMAOBKMT2ASMN1; SMN2KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8759520-B2 | Compounds for treating cancer | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-06-24 | — | — | US | disclosed |
| EP-2373629-B1 | COMPOUNDS FOR TREATING CANCER | BOEHRINGER INGELHEIM INT (DE) | 2013-04-10 | — | — | EP | disclosed |
| US-20110312969-A1 | COMPOUNDS FOR TREATING CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-22 | — | — | US | disclosed |
| EP-2373629-A1 | COMPOUNDS FOR TREATING CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010067067-A1 | COMPOUNDS FOR TREATING CANCER | EVOTEC AG (DE) | 2010-06-17 | — | — | 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 (1 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-20110312969-A1 | COMPOUNDS FOR TREATING CANCER | BCL2, BAX, BCL2A1 | MAPT 3739/4885MAOB 1625/4885KMT2A 2214/4885 |
“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.