Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 3/20 | 0.36 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.36 |
| ▸ | VCP | P55072 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.30 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL19485629 | 0.86 | GNAI3 (0.46) | GNAI3GNAO1GNAI1EPHX2VCP | |
| Tert-Butyl Formate SCHEMBL27867191 | 0.81 | GNAI3 (0.44) | GNAI3GNAO1GNAI1TDP1SOS1 | |
| Tert-Butyl Formate SCHEMBL27764923 | 0.79 | KCNH2 (0.49) | GNAI3GNAO1GNAI1TDP1SOS1 | |
| Tert-Butyl Formate SCHEMBL27866468 | 0.78 | EPHX2 (0.34) | GNAI3GNAO1GNAI1EPHX2TDP1 | |
| Tert-Butyl Formate SCHEMBL27757049 | 0.77 | GNAI3 (0.37) | GNAI3GNAO1GNAI1TDP1SOS1 | |
| SCHEMBL30474540 | 0.77 | KCNH2 (0.50) | GNAI3GNAO1GNAI1EPHX2VCP | |
| Tert-Butyl Formate SCHEMBL28060477 | 0.76 | EPHX1 (0.44) | GNAI3GNAO1GNAI1EPHX2TDP1 | |
| Tert-Butyl Formate SCHEMBL27773110 | 0.76 | TDP1 (0.36) | GNAI3GNAO1GNAI1TDP1SOS1 | |
| Tert-Butyl Formate SCHEMBL28130512 | 0.76 | GNAI3 (0.43) | GNAI3GNAO1GNAI1TDP1SSTR1 | |
| SCHEMBL9805865 | 0.74 | EPHX2 (0.51) | EPHX2VCPCA12CA14TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101835779-B | Purine derivatives useful as PI3 kinase inhibitors | HOFFMANN LA ROCHE | 2014-01-29 | — | — | CN | disclosed |
| CN-101835779-A | Purine derivative as the PI3 kinase inhibitor | HOFFMANN LA ROCHE | 2010-09-15 | — | — | CN | disclosed |