Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.35 |
| ▸ | SLC6A11 | P48066 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.34 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24961137 | 0.91 | LMNA (0.38) | ALDH1A1HSD17B10 | |
| SCHEMBL24610598 | 0.81 | LMNA (0.44) | HSD17B10KMT2ASMN1; SMN2KDM4EBTK | |
| SCHEMBL12346568 | 0.80 | — | — | |
| SCHEMBL23595068 | 0.78 | CA12 (0.33) | ALDH1A1KDM4E | |
| SCHEMBL6991986 | 0.77 | HSD17B10 (0.41) | ALDH1A1HSD17B10KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL16012676 | 0.77 | HSD17B10 (0.41) | ALDH1A1HSD17B10KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL19011779 | 0.76 | ALDH1A1 (0.34) | ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E | |
| SCHEMBL25608654 | 0.75 | PDK1 (0.35) | — | |
| SCHEMBL8062721 | 0.75 | ALDH1A1 (0.49) | ALDH1A1HSD17B10KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL3563641 | 0.75 | ALDH1A1 (0.49) | ALDH1A1HSD17B10KMT2AMEN1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017134588-A1 | PROCESS FOR THE PREPARATION OF IBRUTINIB | SHILPA MEDICARE LIMITED (IN) | 2017-08-10 | — | — | WO | disclosed |