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 | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 2/20 | 0.52 |
| ▸ | GABRG2 known ✓ | P18507 | 2/20 | 0.52 |
| ▸ | GABRB3 known ✓ | P28472 | 2/20 | 0.52 |
| ▸ | GABRA5 known ✓ | P31644 | 2/20 | 0.52 |
| ▸ | GABRA2 known ✓ | P47869 | 2/20 | 0.52 |
| ▸ | GABRP known ✓ | O00591 | 1/20 | 0.52 |
| ▸ | GABRD known ✓ | O14764 | 1/20 | 0.52 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.52 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.52 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.52 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.52 |
| ▸ | GABRE known ✓ | P78334 | 1/20 | 0.52 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.52 |
| ▸ | GABRG1 known ✓ | Q8N1C3 | 1/20 | 0.52 |
| ▸ | GABRG3 known ✓ | Q99928 | 1/20 | 0.52 |
| ▸ | GABRQ known ✓ | Q9UN88 | 1/20 | 0.52 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL6827207 | 0.97 | MAPT (0.60) | MAPTALDH1A1KDM4EMAPK1POLB | |
| SCHEMBL31219113 | 0.76 | KDM4E (0.72) | MAPTALDH1A1KDM4EMAPK1POLB | |
| SCHEMBL17396514 | 0.76 | KDM4E (0.72) | MAPTALDH1A1KDM4EMAPK1POLB | |
| SCHEMBL6828688 | 0.75 | KDM4E (0.62) | MAPTALDH1A1KDM4EMAPK1POLB | |
| SCHEMBL6826630 | 0.74 | KDM4E (0.60) | MAPTALDH1A1KDM4EMAPK1POLB | |
| SCHEMBL18496507 | 0.74 | KDM4E (1.00) | MAPTALDH1A1KDM4EMAPK1POLB | |
| SCHEMBL6826428 | 0.74 | KDM4E (0.68) | MAPTALDH1A1KDM4EMAPK1POLB | |
| SCHEMBL6826347 | 0.73 | GABRA1 (0.58) | MAPTALDH1A1POLBGABRA1GABRG2 | |
| SCHEMBL30961885 | 0.73 | KDM4E (0.63) | MAPTALDH1A1KDM4EMAPK1POLB | |
| SCHEMBL5816882 | 0.71 | MAPT (0.66) | MAPTALDH1A1KDM4EPOLBGABRA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004111052-A1 | PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) | XENOVA LIMITED (GB) | 2004-12-23 | — | — | WO | disclosed |