Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | LTC4S | Q16873 | 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 | |
|---|---|---|---|---|
| SCHEMBL4136313 | 0.80 | PDE5A (0.36) | TSHRKMT2AGRIN2AMEN1SMN1; SMN2 | |
| SCHEMBL8032543 | 0.79 | HSP90AA1 (0.35) | PARP1ATM | |
| SCHEMBL8027507 | 0.77 | PDE10A (0.38) | TSHRKMT2ASMN1; SMN2NPSR1TP53 | |
| SCHEMBL4117755 | 0.73 | KDM4E (0.41) | TSHRKMT2AGRIN2AMEN1SMN1; SMN2 | |
| SCHEMBL4126072 | 0.70 | PDE5A (0.42) | KMT2AMEN1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL8049072 | 0.67 | PDE5A (0.48) | KMT2AMEN1ALDH1A1 | |
| SCHEMBL8037857 | 0.66 | PDE5A (0.42) | KMT2AMEN1ALDH1A1PDE9A | |
| SCHEMBL4136868 | 0.66 | PDE5A (0.44) | KMT2AMEN1ALDH1A1 | |
| SCHEMBL4898303 | 0.64 | PDE5A (0.48) | KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL8237549 | 0.64 | CCNE2 (0.35) | PARP1KMT2AMEN1KDM4EALDH1A1 |
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-2009071706-A1 | PYRAZOLEPYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS NV (BE) | 2009-06-11 | — | — | WO | disclosed |