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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.33 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.33 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | PTPN9 | P43378 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL7775445 | 0.80 | PPARD (0.35) | PPARDTSHRTP53TDP1CA1 | |
| SCHEMBL98777 | 0.78 | TSHR (0.40) | PPARDTSHRTP53TDP1CA1 | |
| SCHEMBL2679555 | 0.77 | PPARD (0.39) | PPARDTSHRTP53TDP1CA1 | |
| SCHEMBL7324246 | 0.76 | LMNA (0.32) | CA1 | |
| SCHEMBL6623038 | 0.75 | PPARD (0.38) | PPARDTSHRTP53TDP1CA1 | |
| SCHEMBL5451688 | 0.75 | TP53 (0.39) | PPARDTSHRTP53TDP1CYP3A4 | |
| SCHEMBL11693393 | 0.72 | TSHR (0.48) | PPARDTSHRTP53TDP1CA1 | |
| Diethyl Hydrogen Phosphate SCHEMBL28596731 | 0.71 | CA1 (0.43) | PPARDTSHRTP53TDP1CA1 | |
| Lithium Ion SCHEMBL4741423 | 0.71 | L3MBTL1 (0.30) | — | |
| SCHEMBL9115357 | 0.70 | TSHR (0.46) | PPARDTSHRTP53TDP1CA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0802920-B1 | ANTIFUNGAL FUSACANDINS | ABBOTT LAB (US) | 2001-10-04 | — | — | EP | disclosed |
| US-5773421-A | Antifungal fusacandins | ABBOTT LABORATORIES (US) | 1998-06-30 | — | — | US | disclosed |
| EP-0802920-A2 | ANTIFUNGAL FUSACANDINS | Abbott Laboratories (US) | 1997-10-29 | — | — | EP | disclosed |
| WO-1996021670-A2 | ANTIFUNGAL FUSACANDINS | ABBOTT LABORATORIES (US) | 1996-07-18 | — | — | WO | disclosed |
| EP-0206206-B1 | ERGOLINE DERIVATIVES, PROCESS FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION AND USE | FARMITALIA CARLO ERBA S.r.l. (IT) | 1989-09-20 | — | — | EP | disclosed |
| US-4746666-A | Ergoline compounds useful as antiparkinson agents | FARMITALIA CARLO ERBA S.P.A. (IT) | 1988-05-24 | — | — | US | disclosed |
| EP-0206206-A1 | Ergoline derivatives, process for preparing them, pharmaceutical composition and use | FARMITALIA CARLO ERBA S.r.l. (IT) | 1986-12-30 | — | — | EP | disclosed |