Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 3/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL25987937 | 0.88 | SMYD3 (0.36) | CA12CA7CA14SMYD3CA9 | |
| SCHEMBL10693905 | 0.80 | CA12 (0.52) | CA12CA7CA14SMYD3CA9 | |
| SCHEMBL15337777 | 0.75 | EPHX1 (0.39) | CA12CA7CA14SMYD3EPHX1 | |
| SCHEMBL8263013 | 0.73 | CA12 (0.48) | CA12CA7CA14CA9KDM4E | |
| SCHEMBL15214569 | 0.73 | CA12 (0.48) | CA12CA7CA14CA9KDM4E | |
| SCHEMBL5586365 | 0.73 | CA12 (0.48) | CA12CA7CA14CA9KDM4E | |
| SCHEMBL16479547 | 0.71 | CA1 (0.60) | CA12CA7CA14CA9KDM4E | |
| SCHEMBL3196672 | 0.71 | CA1 (0.60) | CA12CA7CA14CA9KDM4E | |
| SCHEMBL14509571 | 0.71 | CA12 (0.46) | CA12CA7CA14CA9KDM4E | |
| SCHEMBL18330404 | 0.71 | EPHX2 (0.46) | SMYD3MEN1KMT2AEPHX1BTK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2954900-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | Pharmacyclics, Inc. (US) | 2015-12-16 | — | — | EP | disclosed |