Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.75 |
| ▸ | CA2 | P00918 | 3/20 | 0.75 |
| ▸ | CA12 | O43570 | 2/20 | 0.75 |
| ▸ | CA9 | Q16790 | 2/20 | 0.75 |
| ▸ | CA3 | P07451 | 1/20 | 0.75 |
| ▸ | CA6 | P23280 | 1/20 | 0.75 |
| ▸ | CA5A | P35218 | 1/20 | 0.75 |
| ▸ | CA7 | P43166 | 1/20 | 0.75 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.75 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.75 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.75 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.43 |
| ▸ | PGR | P06401 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3068188 | 0.90 | CA1 (0.79) | CA1CA2CA12CA9CA3 | |
| SCHEMBL3051461 | 0.89 | CA1 (0.73) | CA1CA2CA12CA9CA3 | |
| SCHEMBL3073932 | 0.87 | CA1 (0.79) | CA1CA2CA12CA9CA3 | |
| SCHEMBL3060569 | 0.87 | CA1 (0.70) | CA1CA2CA12CA9CA3 | |
| SCHEMBL3072210 | 0.86 | CA1 (0.69) | CA1CA2CA12CA9CA3 | |
| Indisulam SCHEMBL29799438 | 0.86 | CA1 (1.00) | CA1CA2CA12CA9CA3 | |
| Indisulam SCHEMBL91389 | 0.86 | CA1 (1.00) | CA1CA2CA12CA9CA3 | |
| SCHEMBL14536224 | 0.85 | CA1 (0.80) | CA1CA2CA12CA9CA3 | |
| SCHEMBL3062409 | 0.85 | CA1 (0.83) | CA1CA2CA12CA9CA3 | |
| SCHEMBL27634530 | 0.85 | CA1 (0.79) | CA1CA2CA12CA9CA3 |
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-20150105292-A1 | METHOD FOR ANALYSIS OF COMPOUND-BINDING ABILITY OF PROTEIN | EISAI R & D MAN CO (JP) | 2015-04-16 | — | — | US | disclosed |