Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.45 |
| ▸ | MELK | Q14680 | 1/20 | 0.44 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | HASPIN | Q8TF76 | 2/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Isoquinoline SCHEMBL972906 | 0.90 | TNF (0.42) | TNFKDM4EMAPKAPK2MELKIMPDH2 | |
| Isoquinoline SCHEMBL11573107 | 0.89 | TNF (0.44) | TNFKDM4EMAPKAPK2MELKIMPDH2 | |
| Isoquinoline SCHEMBL30286035 | 0.88 | TNF (0.48) | TNFKDM4EMAPKAPK2IMPDH2CYP3A4 | |
| Isoquinoline SCHEMBL31588723 | 0.88 | TNF (0.48) | TNFKDM4EMAPKAPK2IMPDH2CYP3A4 | |
| Naphthalene SCHEMBL7327012 | 0.88 | TNF (0.48) | TNFKDM4EMAPKAPK2IMPDH2CYP3A4 | |
| Isoquinoline SCHEMBL29355164 | 0.88 | TNF (0.48) | TNFKDM4EMAPKAPK2IMPDH2CYP3A4 | |
| Isoquinoline SCHEMBL1536317 | 0.88 | TNF (0.48) | TNFKDM4EMAPKAPK2IMPDH2CYP3A4 | |
| Isoquinoline SCHEMBL9654 | 0.88 | TNF (0.48) | TNFKDM4EMAPKAPK2IMPDH2CYP3A4 | |
| Isoquinoline SCHEMBL27997841 | 0.86 | KDM4E (0.48) | TNFKDM4EMAPKAPK2MELKIMPDH2 | |
| Isoquinoline SCHEMBL9551000 | 0.85 | HTT (0.47) | TNFKDM4EMAPKAPK2IMPDH2CYP3A4 |
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-107325089-A | The 2 azepine triphenylene materials for Organic Light Emitting Diode | 通用显示公司 | 2017-11-07 | — | — | CN | disclosed |