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 | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 11/20 | 1.00 |
| ▸ | ALOX5AP known ✓ | P20292 | 10/20 | 0.82 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.82 |
| ▸ | MEN1 | O00255 | 3/20 | 1.00 |
| ▸ | USP2 | O75604 | 3/20 | 1.00 |
| ▸ | TP53 | P04637 | 3/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 3/20 | 1.00 |
| ▸ | POLB | P06746 | 3/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
| ▸ | MAPT | P10636 | 3/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 3/20 | 1.00 |
| ▸ | HPGD | P15428 | 3/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 3/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 3/20 | 1.00 |
| ▸ | RECQL | P46063 | 3/20 | 1.00 |
| ▸ | BLM | P54132 | 3/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 3/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 1.00 |
| ▸ | GMNN | O75496 | 2/20 | 1.00 |
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 | |
|---|---|---|---|---|
| SCHEMBL29351963 | 0.90 | PTGES2 (1.00) | ALOX5MEN1USP2TP53CYP1A2 | |
| SCHEMBL503001 | 0.90 | PTGES2 (1.00) | ALOX5MEN1USP2TP53CYP1A2 | |
| SCHEMBL1193211 | 0.90 | ALOX5 (0.85) | ALOX5MEN1USP2TP53CYP1A2 | |
| SCHEMBL9457522 | 0.88 | PTGES2 (1.00) | ALOX5MEN1USP2TP53CYP1A2 | |
| SCHEMBL13447685 | 0.88 | ALOX5 (0.81) | ALOX5MEN1USP2TP53CYP1A2 | |
| SCHEMBL23270778 | 0.86 | PTGES2 (0.83) | ALOX5MEN1USP2TP53CYP1A2 | |
| SCHEMBL30181340 | 0.86 | PTGES2 (0.83) | ALOX5MEN1USP2TP53CYP1A2 | |
| SCHEMBL23270800 | 0.86 | ALOX5 (0.78) | ALOX5MEN1USP2TP53CYP1A2 | |
| SCHEMBL30181489 | 0.86 | ALOX5 (0.78) | ALOX5MEN1USP2TP53CYP1A2 | |
| SCHEMBL9670560 | 0.85 | ALOX5 (0.79) | ALOX5MEN1USP2TP53CYP1A2 |
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-20150299188-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-22 | — | — | US | disclosed |
| EP-2889291-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-07-01 | — | — | 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 (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-20150299188-A1 | HETEROCYCLIC COMPOUND | PTGIS, LIPG, FEN1 | ALOX5 13/4885ALOX5AP 188/4885PTGS2 44/4885 |
“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.