Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.39 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.39 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.39 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 2/20 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27750750 | 0.87 | SOS1 (0.39) | KCNH2TDP1SOS1SSTR1SSTR4 | |
| Tert-Butyl Formate SCHEMBL27765296 | 0.83 | TDP1 (0.45) | KCNH2TDP1 | |
| Tert-Butyl Formate SCHEMBL27822450 | 0.82 | KCNH2 (0.51) | KCNH2TDP1 | |
| Tert-Butyl Formate SCHEMBL27987725 | 0.81 | TDP1 (0.46) | TDP1GNAI3GNAO1GNAI1SSTR1 | |
| Tert-Butyl Formate SCHEMBL27410595 | 0.81 | TDP1 (0.46) | TDP1SSTR1SSTR4EPHX1 | |
| Tert-Butyl Formate SCHEMBL27867191 | 0.81 | GNAI3 (0.44) | TDP1GNAI3GNAO1GNAI1SOS1 | |
| Tert-Butyl Formate SCHEMBL27773110 | 0.81 | TDP1 (0.36) | TDP1GNAI3GNAO1GNAI1SOS1 | |
| Tert-Butyl Formate SCHEMBL27852871 | 0.80 | TDP1 (0.45) | TDP1SSTR1SSTR4EPHX1 | |
| SCHEMBL28667827 | 0.79 | GNAI3 (0.37) | KCNH2TDP1GNAI3GNAO1GNAI1 | |
| Tert-Butyl Formate SCHEMBL28776598 | 0.79 | GRIN2B (0.46) | SOS1 |
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-103958484-B | Oxazolidinone derivative, preparation method and medical application thereof | SHANGHAI HENGRUI PHARMACEUTICAL CO.,LTD. (CN) | 2015-11-25 | — | — | CN | disclosed |
| CN-101573353-B | Substituted isoquinoline and isoquinolinone derivatives | SANOFI AVENTIS | 2014-08-06 | — | — | CN | disclosed |
| CN-101605798-A | Imidazothiazole derivative | DAIICHI SANKYO CO LTD (JP) | 2009-12-16 | — | — | CN | disclosed |