Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 3/20 | 0.32 |
| ▸ | NOS1 | P29475 | 3/20 | 0.32 |
| ▸ | NOS2 | P35228 | 3/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16219828 | 0.81 | BRD4 (0.42) | BRD4KMT2ATSHRCYP19A1NOS3 | |
| SCHEMBL12223584 | 0.78 | BRD4 (0.42) | BRD4LMNAMAPTKMT2AMEN1 | |
| SCHEMBL12926086 | 0.78 | F2 (0.42) | BRD4LMNAMAPTTSHRCYP19A1 | |
| SCHEMBL18821186 | 0.76 | — | — | |
| SCHEMBL21964862 | 0.76 | — | — | |
| SCHEMBL5709310 | 0.76 | — | — | |
| SCHEMBL23132786 | 0.73 | BRD4 (0.47) | BRD4NOS3NOS1NOS2 | |
| SCHEMBL12424595 | 0.73 | BRD4 (0.47) | BRD4NOS3NOS1NOS2 | |
| SCHEMBL2690863 | 0.73 | — | — | |
| SCHEMBL19711769 | 0.73 | KMT2A (0.40) | BRD4MAPTKMT2ATSHRCYP19A1 |
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-2005007641-A1 | 2-PYRIDINE ALKYNE DERIVATIVES USEFUL FOR TREATING PAIN | EURO-CELTIQUE S.A. (LU) | 2005-01-27 | — | — | WO | disclosed |