Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Isopropylbenzene. 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 | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Isopropylbenzene SCHEMBL27465893 | 0.94 | KMT2A (0.46) | PTPN1PTPN6PTPN11ALDH1A1KMT2A | |
| Isopropylbenzene SCHEMBL8555471 | 0.84 | ALDH1A1 (0.52) | PTPN1PTPN6PTPN11ALDH1A1KMT2A | |
| Isopropylbenzene SCHEMBL7897754 | 0.82 | LMNA (0.46) | PTPN1PTPN6PTPN11ALDH1A1KMT2A | |
| Isopropylbenzene SCHEMBL27353084 | 0.82 | ALDH1A1 (0.57) | PTPN1PTPN6PTPN11ALDH1A1KMT2A | |
| Isopropylbenzene SCHEMBL894807 | 0.82 | ALDH1A1 (0.57) | PTPN1PTPN6PTPN11ALDH1A1KMT2A | |
| Isopropylbenzene SCHEMBL8554353 | 0.80 | ALDH1A1 (0.43) | PTPN1PTPN6PTPN11ALDH1A1KMT2A | |
| Isopropylbenzene SCHEMBL2013494 | 0.80 | CNR2 (0.42) | PTPN1PTPN6PTPN11ALDH1A1KMT2A | |
| Isopropylbenzene SCHEMBL2013493 | 0.80 | ALDH1A1 (0.55) | PTPN1PTPN6PTPN11ALDH1A1KMT2A | |
| Isopropylbenzene SCHEMBL719550 | 0.80 | ALDH1A1 (0.55) | PTPN1PTPN6PTPN11ALDH1A1KMT2A | |
| Isopropylbenzene SCHEMBL8330332 | 0.80 | ALDH1A1 (0.55) | PTPN1PTPN6PTPN11ALDH1A1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106117406-A | A kind of self-flame-retardant modifying cinepazid emulsion and preparation method thereof | 合众（佛山）化工有限公司 | 2016-11-16 | — | — | CN | claimed |
| CN-106117406-B | A kind of self-flame-retardant modifying cinepazid emulsion and preparation method thereof | 合众（佛山）化工有限公司 | 2019-02-12 | — | — | CN | disclosed |
| CN-107936188-A | A kind of polyimide modified acrylic acid anti-corrosion lotion and preparation method thereof | 湖南辰砾新材料有限公司 | 2018-04-20 | — | — | CN | disclosed |
| CN-106117406-A | A kind of self-flame-retardant modifying cinepazid emulsion and preparation method thereof | 合众（佛山）化工有限公司 | 2016-11-16 | — | — | CN | disclosed |
| CN-102933209-B | Adhesive composition for medical use, adhesive patch for medical use, and method for producing the composition | TOAGOSEI CO LTD | 2015-06-17 | — | — | CN | disclosed |