Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CPN1 | P15169 | 1/20 | 0.39 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL21188809 | 0.93 | CPN1 (0.42) | CPN1CPB2GBA1GNAI3GNAO1 | |
| SCHEMBL20756219 | 0.91 | CPN1 (0.39) | CPN1CPB2MMP9ADAM17GBA1 | |
| SCHEMBL101998 | 0.91 | CPN1 (0.44) | CPN1CPB2GBA1GNAI3GNAO1 | |
| Hydrochloric Acid SCHEMBL10276516 | 0.89 | CPN1 (0.42) | CPN1CPB2GBA1GNAI3GNAO1 | |
| SCHEMBL22738127 | 0.83 | MMP9 (0.40) | CPN1CPB2MMP9ADAM17SLC6A2 | |
| SCHEMBL4314147 | 0.77 | CPN1 (0.33) | CXCR4SMN1; SMN2CPN1CPB2SLC6A2 | |
| SCHEMBL1691633 | 0.77 | — | — | |
| SCHEMBL4420168 | 0.77 | — | — | |
| SCHEMBL1517058 | 0.77 | — | — | |
| SCHEMBL435998 | 0.74 | CPN1 (0.50) | SMN1; SMN2CPN1CPB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019143073-A1 | GADOTERIDOL INTERMEDIATE AND METHOD FOR PREPARING GADOTERIDOL USING SAME | 주식회사 엔지켐생명과학 | 2019-07-25 | — | — | WO | disclosed |