Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAT2A | P31153 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16244484 | 0.91 | TDP1 (0.39) | TDP1ABCB1NPBWR1CNR2L3MBTL1 | |
| SCHEMBL19159691 | 0.91 | NPBWR1 (0.35) | TDP1ABCB1NPBWR1CNR2L3MBTL1 | |
| SCHEMBL16244426 | 0.88 | NPBWR1 (0.42) | TDP1ABCB1NPBWR1CNR2L3MBTL1 | |
| SCHEMBL16244388 | 0.84 | ABCB1 (0.37) | TDP1ABCB1CNR2L3MBTL1KMT2A | |
| SCHEMBL16244627 | 0.82 | NPBWR1 (0.42) | ABCB1NPBWR1CNR2L3MBTL1KMT2A | |
| SCHEMBL16244935 | 0.77 | KMT2A (0.41) | TDP1NPBWR1CNR2KMT2ASMN1; SMN2 | |
| SCHEMBL16244695 | 0.75 | PDE4A (0.40) | NPBWR1KMT2ASMN1; SMN2MEN1BRD4 | |
| SCHEMBL19158727 | 0.74 | BRD4 (0.34) | ABCB1SMN1; SMN2BRD4 | |
| SCHEMBL16244871 | 0.73 | ABCB1 (0.37) | ABCB1KMT2ASMN1; SMN2MEN1BRD4 | |
| SCHEMBL16259906 | 0.72 | KDM4E (0.39) | TDP1NPBWR1L3MBTL1TP53MAPT |
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-3004110-B1 | PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2017-07-26 | — | — | EP | disclosed |