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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
| ▸ | MEN1 | O00255 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.71 |
| ▸ | POLA1 | P09884 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 7/20 | 0.34 |
| ▸ | F3 | P13726 | 3/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | USP7 | Q93009 | 1/20 | 0.32 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.32 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.32 |
| ▸ | ST6GAL1 | P15907 | 1/20 | 0.30 |
| ▸ | FUT6 | P51993 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Lagochiline SCHEMBL9854640 | 0.83 | CYP3A4 (1.00) | CYP3A4MEN1KMT2APOLA1LMNA | |
| SCHEMBL9854657 | 0.75 | CYP3A4 (0.62) | CYP3A4MEN1KMT2APOLA1LMNA | |
| SCHEMBL9854626 | 0.60 | — | — | |
| Aphidicolin SCHEMBL8763668 | 0.53 | POLA1 (1.00) | CYP3A4MEN1KMT2APOLA1LMNA | |
| Aphidicolin SCHEMBL14667945 | 0.53 | POLA1 (1.00) | CYP3A4MEN1KMT2APOLA1LMNA | |
| SCHEMBL12228795 | 0.50 | NR1H4 (0.55) | CYP3A4MEN1KMT2APOLA1LMNA | |
| SCHEMBL30828824 | 0.49 | CA4 (0.35) | — | |
| SCHEMBL11870137 | 0.47 | ALOX15 (0.66) | CYP3A4MEN1KMT2APOLA1LMNA | |
| SCHEMBL18789463 | 0.46 | ALDH1A1 (0.36) | CYP3A4MEN1KMT2ALMNA | |
| Hexacyclonate SCHEMBL1641659 | 0.46 | USP2 (0.41) | LMNASMN1; SMN2CYP2C19USP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0408749-A1 | DERIVATIVES OF 3,18-DIHYDROXY-9,13-EPOXYLABDANE, METHOD OF OBTAINING THEM AND A HEMOSTATIC PHARMACEUTICAL PREPARATION BASED THEREON | TASHKENTSKY GOSUDARSTVENNY UNIVERSITET IMENI V.I. LENINA (SU) | 1991-01-23 | — | — | EP | claimed |
| EP-0408749-A1 | DERIVATIVES OF 3,18-DIHYDROXY-9,13-EPOXYLABDANE, METHOD OF OBTAINING THEM AND A HEMOSTATIC PHARMACEUTICAL PREPARATION BASED THEREON | TASHKENTSKY GOSUDARSTVENNY UNIVERSITET IMENI V.I. LENINA (SU) | 1991-01-23 | — | — | EP | disclosed |