Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4580049 | 0.96 | ALDH1A1 (0.40) | ALDH1A1TDP1L3MBTL1KDM4ECYP1A2 | |
| Anthracene SCHEMBL27904482 | 0.87 | ALDH1A1 (0.34) | ALDH1A1TDP1L3MBTL1KDM4ECYP1A2 | |
| Pyrrole SCHEMBL28204826 | 0.86 | ALDH1A1 (0.33) | ALDH1A1TDP1L3MBTL1KDM4ECYP1A2 | |
| Benzene SCHEMBL27969752 | 0.78 | PARP1 (0.32) | — | |
| Biphenyl SCHEMBL2533455 | 0.77 | NOTUM (0.44) | ALDH1A1TDP1CYP1A2CYP3A4MAPT | |
| Biphenyl SCHEMBL5477829 | 0.77 | NOTUM (0.44) | ALDH1A1TDP1CYP1A2CYP3A4MAPT | |
| Benzene SCHEMBL27338794 | 0.76 | PARP1 (0.33) | — | |
| Biphenyl SCHEMBL28077267 | 0.75 | NOTUM (0.42) | ALDH1A1TDP1CYP1A2CYP3A4MAPT | |
| Phenazine SCHEMBL27734838 | 0.75 | MAPT (0.50) | ALDH1A1TDP1L3MBTL1KDM4EMAPT | |
| Naphthalene SCHEMBL27805984 | 0.74 | CYP2A6 (0.40) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106496260-B | Pyrroles feux rouges compound OPA BODIPY of Yi Zhong oxadiazole triphenylamine fluorine boron two and its preparation method and application | 东南大学 | 2018-03-23 | — | — | CN | claimed |
| CN-106496260-B | Pyrroles feux rouges compound OPA BODIPY of Yi Zhong oxadiazole triphenylamine fluorine boron two and its preparation method and application | 东南大学 | 2018-03-23 | — | — | CN | disclosed |
| CN-106496260-B | Pyrroles feux rouges compound OPA BODIPY of Yi Zhong oxadiazole triphenylamine fluorine boron two and its preparation method and application | 东南大学 | 2018-03-23 | — | — | CN | disclosed |
| CN-106496260-B | Pyrroles feux rouges compound OPA BODIPY of Yi Zhong oxadiazole triphenylamine fluorine boron two and its preparation method and application | 东南大学 | 2018-03-23 | — | — | CN | disclosed |