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 | 0.32 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.32 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL7746261 | 0.95 | ALDH1A1 (0.41) | ALDH1A1ALOX15HPGDHSD17B10TDP1 | |
| Lithium Ion SCHEMBL7743747 | 0.95 | ALDH1A1 (0.41) | ALDH1A1ALOX15HPGDHSD17B10TDP1 | |
| SCHEMBL10874622 | 0.95 | ALDH1A1 (0.41) | ALDH1A1ALOX15HPGDHSD17B10TDP1 | |
| SCHEMBL5396186 | 0.95 | ALDH1A1 (0.41) | ALDH1A1ALOX15HPGDHSD17B10TDP1 | |
| Hydrochloric Acid SCHEMBL6039934 | 0.93 | ALDH1A1 (0.40) | ALDH1A1ALOX15HPGDHSD17B10TDP1 | |
| SCHEMBL5679072 | 0.93 | ALDH1A1 (0.40) | ALDH1A1ALOX15HPGDHSD17B10TDP1 | |
| SCHEMBL4363292 | 0.90 | ALDH1A1 (0.38) | ALDH1A1ALOX15HPGDHSD17B10TDP1 | |
| Phosphoric Acid SCHEMBL29534935 | 0.89 | NR1I2 (0.39) | ALDH1A1ALOX15HPGDHSD17B10TDP1 | |
| Phosphoric Acid SCHEMBL27702683 | 0.89 | NR1I2 (0.39) | ALDH1A1ALOX15HPGDHSD17B10TDP1 | |
| SCHEMBL1451091 | 0.85 | ALDH1A1 (0.34) | ALDH1A1ALOX15HPGDHSD17B10TDP1 |
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-102827205-A | Preparation method of nucleating agent | CHINA PETROLEUM & CHEMICAL | 2012-12-19 | — | — | CN | disclosed |
| CN-102807474-A | Preparation methods of substituted diaryl phenol, organophosphorus ester and organic phosphate | CHINA PETROLEUM & CHEMICAL | 2012-12-05 | — | — | CN | disclosed |
| CN-101942126-B | Transparent antistatic polyethylene film master batch | PETROCHINA CO LTD | 2012-08-08 | — | — | CN | disclosed |
| CN-102408444-A | Ultrasonic preparation method of fine transparent nucleating agent | CHINA PETROLEUM & CHEMICAL | 2012-04-11 | — | — | CN | disclosed |
| CN-102382359-A | Preparation method of ultrafine organic phosphate nucleating agent | CHINA PETROLEUM & CHEMICAL | 2012-03-21 | — | — | CN | disclosed |
| CN-102382135-A | Preparation method of organic phosphate polypropylene nucleating agent | CHINA PETROLEUM & CHEMICAL | 2012-03-21 | — | — | CN | disclosed |
| US-6429273-B1 | ANIONIC POLYMERIZATION OF STYRENE USING MAGNESIUM AND ALKALI METAL-BASED INITIATORS; CONTROLLED MOLECULAR WEIGHT DISTRIBUTION; CONTROLLABLE RATE PREVENTS RUNAWAY REACTION; EXCELLENT MOLDING CHARACTERISTICS | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2002-08-06 | — | — | US | disclosed |
| CN-1319584-A | Process for preparing 3,5-di-tert-butyl salicylic acid | HUBEI INST OF CHEMISTRY (CN) | 2001-10-31 | — | — | CN | disclosed |