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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.59 |
| ▸ | MEN1 | O00255 | 7/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.59 |
| ▸ | DRD3 | P35462 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 5/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | RAD52 | P43351 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | BRD4 | O60885 | 1/20 | 0.54 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9744118 | 0.91 | HSD17B10 (0.69) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL9744128 | 0.91 | HSD17B10 (0.69) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL9743895 | 0.83 | MEN1 (0.74) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL27397656 | 0.82 | HSD17B10 (0.78) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL29548937 | 0.82 | HSD17B10 (0.78) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL2961241 | 0.81 | HSD17B10 (0.78) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL11967716 | 0.80 | KDM4E (0.71) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL10677674 | 0.80 | HSD17B10 (0.74) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6776533 | 0.80 | KDM4E (0.70) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL10678719 | 0.79 | HSD17B10 (0.72) | KDM4EALDH1A1HSD17B10MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5147871-A | Anti-bacterial cephalosporin compounds | HOFFMANN LA-ROCHE, INC. (US) | 1992-09-15 | — | — | US | disclosed |