Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 4/20 | 0.34 |
| ▸ | SI | P14410 | 4/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | LGALS9 | O00182 | 1/20 | 0.30 |
| ▸ | LGALS3 | P17931 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | LGALS8 | O00214 | 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 | |
|---|---|---|---|---|
| SCHEMBL11508250 | 1.00 | CA2 (0.35) | CA2CA9CA1MGAMSI | |
| SCHEMBL26901169 | 0.83 | ALDH1A1 (0.43) | CA2CA9CA1MMP9MMP12 | |
| SCHEMBL21843050 | 0.83 | ALDH1A1 (0.43) | CA2CA9CA1MMP9MMP12 | |
| SCHEMBL11507699 | 0.75 | KDM4E (0.51) | CA2CA9CA1MGAMSI | |
| SCHEMBL11507701 | 0.75 | KDM4E (0.51) | CA2CA9CA1MGAMSI | |
| SCHEMBL11509418 | 0.74 | CA2 (0.46) | CA2CA9CA1MMP9MMP12 | |
| SCHEMBL11881545 | 0.71 | LGALS8 (0.51) | CA2CA9CA1MGAMSI | |
| SCHEMBL11878956 | 0.71 | LGALS8 (0.51) | CA2CA9CA1MGAMSI | |
| SCHEMBL11881524 | 0.71 | LGALS8 (0.51) | CA2CA9CA1MGAMSI | |
| SCHEMBL11508557 | 0.70 | CA2 (0.49) | CA2CA9CA1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4180655-A | ANTITUMOR AND ANTILEUKEMIA AGENTS | Suami, Tetsuo (JP) | 1979-12-25 | — | — | US | disclosed |
| US-4086415-A | ANTILEUKEMIA, ANTITUMOR | Suami, Tetsuo (JA) | 1978-04-25 | — | — | US | disclosed |