Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.40 |
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 SCHEMBL7897749 | 0.93 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTKDM4EKMT2A | |
| Isopropylbenzene SCHEMBL2013494 | 0.91 | CNR2 (0.42) | ALDH1A1LMNAMAPTKDM4EKMT2A | |
| Isopropylbenzene SCHEMBL719551 | 0.91 | CNR2 (0.42) | ALDH1A1LMNAMAPTKDM4EKMT2A | |
| Isopropylbenzene SCHEMBL7897754 | 0.89 | LMNA (0.46) | ALDH1A1LMNAMAPTKDM4EKMT2A | |
| Isopropylbenzene SCHEMBL8555471 | 0.87 | ALDH1A1 (0.52) | ALDH1A1LMNAMAPTKDM4EKMT2A | |
| Isopropylbenzene SCHEMBL894807 | 0.84 | ALDH1A1 (0.57) | ALDH1A1LMNAMAPTKDM4EKMT2A | |
| Isopropylbenzene SCHEMBL27353084 | 0.84 | ALDH1A1 (0.57) | ALDH1A1LMNAMAPTKDM4EKMT2A | |
| Isopropylbenzene SCHEMBL3815382 | 0.84 | ADRA2C (0.46) | ALDH1A1LMNAKDM4EKMT2ACRHBP | |
| Isopropylbenzene SCHEMBL3423779 | 0.84 | ADRA2C (0.46) | ALDH1A1LMNAKDM4EKMT2ACRHBP | |
| Isopropylbenzene SCHEMBL5607851 | 0.84 | ADRA2C (0.46) | ALDH1A1LMNAKDM4EKMT2ACRHBP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5733970-A | CROSSLINKING WITH LOW MOLECULAR WEIGHT POLYEPOXIDE | THE GLIDDEN COMPANY (US) | 1998-03-31 | — | — | US | disclosed |