Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 4/20 | 0.32 |
| ▸ | NOS2 | P35228 | 4/20 | 0.32 |
| ▸ | NOS3 | P29474 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7599353 | 0.96 | CA1 (0.43) | CA1CA2CA4ADRA2AADRA2B | |
| SCHEMBL7593257 | 0.88 | CYP1A2 (0.43) | CA1CA2CA4NOS1NOS2 | |
| SCHEMBL7598405 | 0.83 | CYP1A2 (0.39) | CA1CA2CA4NOS1NOS2 | |
| SCHEMBL7599301 | 0.82 | CA1 (0.32) | CA1CA2CA4 | |
| SCHEMBL7591334 | 0.77 | — | — | |
| SCHEMBL7590915 | 0.76 | CA1 (0.45) | CA1CA2CA4ADRA2AADRA2B | |
| SCHEMBL11591596 | 0.75 | CA1 (0.67) | CA1CA2CA4ADRA2AADRA2B | |
| SCHEMBL29065439 | 0.73 | CA1 (0.64) | CA1CA2CA4ADRA2AADRA2B | |
| SCHEMBL7598613 | 0.72 | MEN1 (0.33) | — | |
| SCHEMBL7599365 | 0.71 | CA1 (0.41) | CA1CA2CA4ADRA2AADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0894802-B1 | Silane compound | NIPPON MITSUBISHI OIL CORP (JP) | 2002-11-06 | — | — | EP | disclosed |
| US-6150549-A | Silane compound | NIPPON MITSUBISHI OIL CORPORATION (JP) | 2000-11-21 | — | — | US | disclosed |
| EP-0894802-A2 | Silane compound | NIPPON OIL CO. LTD. (JP) | 1999-02-03 | — | — | EP | disclosed |