Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 2/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MIF | P14174 | 2/20 | 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 SCHEMBL3672803 | 0.97 | TAAR1 (0.50) | TAAR1KDM4EADRA2AADRA2CCYP2D6 | |
| Isopropylbenzene SCHEMBL8431863 | 0.97 | TAAR1 (0.50) | TAAR1KDM4EADRA2AADRA2CCYP2D6 | |
| Isopropylbenzene SCHEMBL27727769 | 0.97 | TAAR1 (0.50) | TAAR1KDM4EADRA2AADRA2CCYP2D6 | |
| Isopropylbenzene SCHEMBL87809 | 0.97 | TAAR1 (0.50) | TAAR1KDM4EADRA2AADRA2CCYP2D6 | |
| Isopropylbenzene SCHEMBL11254813 | 0.97 | — | — | |
| Isopropylbenzene SCHEMBL6568 | 0.97 | — | — | |
| Isopropylbenzene SCHEMBL23421101 | 0.93 | ADRA2C (0.52) | TAAR1KDM4EADRA2AADRA2CCYP2D6 | |
| Isopropylbenzene SCHEMBL9352133 | 0.93 | TAAR1 (0.48) | TAAR1KDM4EADRA2AADRA2CCYP2D6 | |
| Isopropylbenzene SCHEMBL18614726 | 0.93 | ADRA2C (0.52) | TAAR1KDM4EADRA2AADRA2CCYP2D6 | |
| Isopropylbenzene SCHEMBL11006422 | 0.93 | TAAR1 (0.48) | TAAR1KDM4EADRA2AADRA2CCYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106967197-B | Application, rubber composition and the tire of a kind of hydrocarbon resin in rubber | 彤程化学（中国）有限公司 | 2019-06-11 | — | — | CN | disclosed |
| US-5160497-A | Catalytic alkylation of benzene to polyisopropylbenzenes and cumene; oxidation to cumene hydroperoxide and acetone; hydrogenation of acetone to isopropanol and recycling | INSTITUT FRANCAIS DU PETROLE (FR) | 1992-11-03 | — | — | US | disclosed |