Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | GMNN | O75496 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.49 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.49 |
| ▸ | SRC | P12931 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
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 SCHEMBL8330332 | 1.00 | ALDH1A1 (0.55) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL27353084 | 0.98 | ALDH1A1 (0.57) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL894807 | 0.98 | ALDH1A1 (0.57) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL2013493 | 0.95 | ALDH1A1 (0.55) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL719550 | 0.95 | ALDH1A1 (0.55) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL8555471 | 0.91 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL27513961 | 0.91 | ALDH1A1 (0.55) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL27343723 | 0.88 | ALDH1A1 (0.48) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL20448550 | 0.88 | SRC (0.52) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL9047739 | 0.88 | ALDH1A1 (0.48) | ALDH1A1KDM4ELMNAMAPTKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0817819-A4 | HYDROCARBON GELS USEFUL IN FORMATION FRACTURING | CLEARWATER INC (US) | 1999-05-26 | — | — | EP | disclosed |
| EP-0817819-A1 | HYDROCARBON GELS USEFUL IN FORMATION FRACTURING | CLEARWATER, INC. (US) | 1998-01-14 | — | — | EP | disclosed |
| WO-1997027266-A1 | HYDROCARBON GELS USEFUL IN FORMATION FRACTURING | CLEARWATER, INC. (US) | 1997-07-31 | — | — | WO | disclosed |
| US-5614010-A | PHOSPHATE ESTERS, FERRIC SALT TO FORM GEL, LOW MOLECULAR WEIGHT AMINE AND SURFACTANT | CLEARWATER, INC. (US) | 1997-03-25 | — | — | US | disclosed |