Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 10/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL340502 | 0.75 | RAPGEF4 (0.43) | RAPGEF4ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL4234420 | 0.73 | RAPGEF4 (0.41) | RAPGEF4ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL13410909 | 0.73 | RAPGEF4 (0.41) | RAPGEF4ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL28225183 | 0.71 | RAPGEF4 (0.39) | RAPGEF4ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL13897898 | 0.71 | RAPGEF4 (0.39) | RAPGEF4ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL234943 | 0.65 | CYP3A4 (0.58) | RAPGEF4TSHR | |
| Hydrochloric Acid SCHEMBL8750445 | 0.65 | ALDH1A1 (0.61) | RAPGEF4ALDH1A1CYP1A2CYP2A6TSHR | |
| Hydrochloric Acid SCHEMBL2443762 | 0.65 | ALDH1A1 (0.61) | RAPGEF4ALDH1A1CYP1A2CYP2A6TSHR | |
| SCHEMBL28951 | 0.63 | RAPGEF4 (0.59) | RAPGEF4ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL1551822 | 0.63 | RAPGEF4 (0.59) | RAPGEF4ALDH1A1LMNAKDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-103180407-B | Triphenylene-based materials for organic electroluminescent devices | 默克专利有限公司 | 2016-09-07 | — | — | CN | disclosed |