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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.50 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.50 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.50 |
| ▸ | THRA known ✓ | P10827 | 1/20 | 0.48 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4015208 | 0.89 | CA1 (0.54) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL5881646 | 0.87 | TSHR (0.51) | TSHRCA12CA1CA2CA7 | |
| Tetrabuthylammonium SCHEMBL4015108 | 0.86 | CA12 (0.46) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL10950170 | 0.86 | TSHR (0.62) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL3266551 | 0.86 | TSHR (0.62) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL8570743 | 0.86 | TSHR (0.62) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL8421760 | 0.86 | TSHR (0.62) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL7282460 | 0.85 | TSHR (0.50) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL7271429 | 0.85 | S1PR3 (0.58) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL7278948 | 0.84 | S1PR3 (0.56) | TSHRCA12CA1CA2CA7 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1040541-C | Polypeptide compound and process for preparation thereof | FUJISAWA PHARMACEUTICAL CO (JP) | 1998-11-04 | — | — | CN | disclosed |
| US-H1638-H | CYCLIC HEXAPEPTIDE | FURUTA TAKAHISA (JP) | 1997-03-04 | — | — | US | disclosed |
| EP-0462531-B1 | Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain | FUJISAWA PHARMACEUTICAL CO (JP) | 1996-10-02 | — | — | EP | disclosed |
| EP-0729974-A1 | Cyclic polypeptide with antibiotic activity and a process for preparation thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-09-04 | — | — | EP | disclosed |
| US-5376634-A | Microbiocides | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1994-12-27 | — | — | US | disclosed |
| EP-0486011-A2 | Pharmaceutical composition against Pneumocystis carinii | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1992-05-20 | — | — | EP | disclosed |
| CN-1059729-A | Novel polypeptide compound and preparation method thereof | FUJISAWA PHARMACEUTICAL CO (JP) | 1992-03-25 | — | — | CN | disclosed |
| EP-0462531-A2 | Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1991-12-27 | — | — | EP | disclosed |