Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | KDM1A | O60341 | 10/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL46818 | 0.78 | — | — | |
| SCHEMBL27329500 | 0.78 | CYP2A6 (1.00) | CYP2A6ALDH1A1KMT2AMAOBAR | |
| P-Xylene SCHEMBL3926102 | 0.78 | CYP2A6 (1.00) | CYP2A6ALDH1A1KMT2AMAOBAR | |
| Morpholine SCHEMBL28295537 | 0.77 | EGFR (0.38) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL28089251 | 0.76 | CYP2A6 (0.94) | CYP2A6ALDH1A1KMT2AMAOBAR | |
| Morpholine SCHEMBL4270671 | 0.76 | ACHE (0.54) | ALDH1A1ADRB1MEN1KMT2AKDM4E | |
| Morpholine SCHEMBL7697197 | 0.76 | MEN1 (0.44) | ADRB1MEN1KMT2AKDM4EGAA | |
| Toluene SCHEMBL3946837 | 0.75 | LMNA (0.50) | ADRB1MEN1KMT2AKDM4EGAA | |
| Morpholine SCHEMBL3295641 | 0.75 | OPRD1 (0.36) | MEN1KMT2AKDM4EGAACYP2C9 | |
| Morpholine SCHEMBL6562102 | 0.74 | L3MBTL1 (0.39) | ALDH1A1ADRB1MEN1KMT2AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110317202-A | Cyanopyrrole and heteroaryl analog derivative, preparation method and its application in medicine | 江苏恒瑞医药股份有限公司 | 2019-10-11 | — | — | CN | disclosed |
| CN-104302624-B | Antimalarial agent | MERCK PATENT GMBH (DE) | 2016-01-13 | — | — | CN | disclosed |
| CN-104302624-A | Anti-malarial agents | UNIV DUNDEE | 2015-01-21 | — | — | CN | disclosed |