Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 4/20 | 0.31 |
| ▸ | NOS3 | P29474 | 3/20 | 0.31 |
| ▸ | NOS2 | P35228 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17800108 | 1.00 | CA1 (0.39) | CA1CA2CA4ALDH1A1NOS1 | |
| SCHEMBL3708778 | 1.00 | CA1 (0.39) | CA1CA2CA4ALDH1A1NOS1 | |
| SCHEMBL7269122 | 1.00 | CA1 (0.39) | CA1CA2CA4ALDH1A1NOS1 | |
| SCHEMBL6592044 | 0.94 | — | — | |
| SCHEMBL6240345 | 0.91 | CA1 (0.48) | CA1CA2CA4ALDH1A1NOS1 | |
| SCHEMBL23952890 | 0.88 | CA1 (0.46) | CA1CA2CA4ALDH1A1NOS1 | |
| SCHEMBL6250904 | 0.88 | CA1 (0.46) | CA1CA2CA4ALDH1A1NOS1 | |
| SCHEMBL3318924 | 0.88 | CA1 (0.46) | CA1CA2CA4ALDH1A1NOS1 | |
| SCHEMBL6894837 | 0.88 | CA1 (0.46) | CA1CA2CA4ALDH1A1NOS1 | |
| SCHEMBL7724695 | 0.88 | CA1 (0.46) | CA1CA2CA4ALDH1A1NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6538145-B2 | Having a hydroxy group at 24-position and, optionally, a substituent at 2 beta position; reacting intermediates of the A ring part and intermediates of the C ring; cyclization; coupling; control of calcium metabolism; antitumor agents | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-03-25 | — | — | US | disclosed |