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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.45 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.33 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL472821 | 1.00 | CA2 (0.45) | CA2CA1GPR84NFKB1TP53 | |
| SCHEMBL1283043 | 1.00 | CA2 (0.45) | CA2CA1GPR84NFKB1TP53 | |
| SCHEMBL7100617 | 1.00 | CA2 (0.45) | CA2CA1GPR84NFKB1TP53 | |
| SCHEMBL9651098 | 1.00 | CA2 (0.45) | CA2CA1GPR84NFKB1TP53 | |
| SCHEMBL7095269 | 1.00 | CA2 (0.45) | CA2CA1GPR84NFKB1TP53 | |
| SCHEMBL223462 | 1.00 | CA2 (0.45) | CA2CA1GPR84NFKB1TP53 | |
| SCHEMBL626431 | 1.00 | CA2 (0.45) | CA2CA1GPR84NFKB1TP53 | |
| SCHEMBL7098224 | 1.00 | CA2 (0.45) | CA2CA1GPR84NFKB1TP53 | |
| SCHEMBL15520 | 1.00 | CA2 (0.45) | CA2CA1GPR84NFKB1TP53 | |
| SCHEMBL7207855 | 1.00 | CA2 (0.45) | CA2CA1GPR84NFKB1TP53 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0964036-B1 | Water-based ball-point pen ink composition | PILOT INK CO LTD (JP) | 2003-08-27 | — | — | EP | disclosed |
| US-6261352-B1 | BETAINE, SULFO ESTER | THE PILOT INK CO., LTD. (JP) | 2001-07-17 | — | — | US | disclosed |
| EP-0964036-A2 | Water-based ball-point pen ink composition | THE PILOT INK CO., LTD. (JP) | 1999-12-15 | — | — | EP | disclosed |
| EP-0090142-B2 | PROCESS TO PRODUCE MOULDABLE VINYL CHLORIDE POLYMERS | HÜLS AKTIENGESELLSCHAFT (DE) | 1990-12-05 | — | — | EP | disclosed |
| US-4965328-A | Preparation of paste forming vinyl chloride polymers with high pressure homogenization | HUELS AKTIENGESELLSCHAFT (DE) | 1990-10-23 | — | — | US | disclosed |
| EP-0144614-B1 | PROCESS FOR PRODUCING VINYL CHLORIDE POLYMERS | HÜLS AKTIENGESELLSCHAFT (DE) | 1989-05-31 | — | — | EP | disclosed |
| EP-0108884-B1 | PROCESS FOR PRODUCING VINYL CHLORIDE POLYMERS | HÜLS AKTIENGESELLSCHAFT (DE) | 1987-06-10 | — | — | EP | disclosed |
| EP-0090142-B1 | PROCESS TO PRODUCE MOULDABLE VINYL CHLORIDE POLYMERS | HÜLS AKTIENGESELLSCHAFT (DE) | 1986-02-26 | — | — | EP | disclosed |
| EP-0144614-A2 | Process for producing vinyl chloride polymers | HÜLS AKTIENGESELLSCHAFT (DE) | 1985-06-19 | — | — | EP | disclosed |
| EP-0108884-A1 | Process for producing vinyl chloride polymers | HÜLS AKTIENGESELLSCHAFT (DE) | 1984-05-23 | — | — | EP | disclosed |
| EP-0090142-A2 | Process to produce mouldable vinyl chloride polymers | HÜLS AKTIENGESELLSCHAFT (DE) | 1983-10-05 | — | — | EP | disclosed |