Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | TYR | P14679 | 2/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MDM4 | O15151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 SCHEMBL27280880 | 1.00 | TAAR1 (0.44) | TAAR1TYRCRHBPCRHR2CYP2D6 | |
| Isopropylbenzene SCHEMBL27261274 | 0.91 | TAAR1 (0.46) | TAAR1CYP2D6HIF1AKDM4EADRA2A | |
| Isopropylbenzene SCHEMBL3672803 | 0.91 | TAAR1 (0.50) | TAAR1CYP2D6HIF1AKDM4EADRA2A | |
| Isopropylbenzene SCHEMBL11254813 | 0.91 | — | — | |
| Isopropylbenzene SCHEMBL8431863 | 0.91 | TAAR1 (0.50) | TAAR1CYP2D6HIF1AKDM4EADRA2A | |
| Isopropylbenzene SCHEMBL87809 | 0.91 | TAAR1 (0.50) | TAAR1CYP2D6HIF1AKDM4EADRA2A | |
| Isopropylbenzene SCHEMBL27727769 | 0.91 | TAAR1 (0.50) | TAAR1CYP2D6HIF1AKDM4EADRA2A | |
| Isopropylbenzene SCHEMBL6568 | 0.91 | — | — | |
| Isopropylbenzene SCHEMBL8074516 | 0.90 | CRHBP (0.42) | TYRCRHBPCRHR2CYP2D6HIF1A | |
| Isopropylbenzene SCHEMBL27719884 | 0.88 | TAAR1 (0.44) | TAAR1CYP2D6HIF1AKDM4EADRA2A |
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-104151940-B | A kind of ink-jet UV ink | 内蒙古工业大学 | 2016-09-28 | — | — | CN | claimed |
| CN-106496437-B | A kind of fire resistant polymer polylol and its preparation method and application | 万华化学集团股份有限公司 | 2018-08-28 | — | — | CN | disclosed |