Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MPO | P05164 | 5/20 | 0.34 |
| ▸ | TPO | P07202 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | B3GNT2 | Q9NY97 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL24728745 | 0.64 | CES1 (0.44) | KDM4EKMT2AALDH1A1MEN1SMN1; SMN2 | |
| SCHEMBL8396 | 0.64 | CES1 (0.44) | KDM4EKMT2AALDH1A1MEN1SMN1; SMN2 | |
| Acetone SCHEMBL28190449 | 0.63 | CES2 (0.43) | KDM4EKMT2AALDH1A1MEN1SMN1; SMN2 | |
| SCHEMBL1616718 | 0.63 | CES1 (0.42) | KDM4EKMT2AALDH1A1MEN1SMN1; SMN2 | |
| SCHEMBL23360898 | 0.63 | CES1 (0.42) | KDM4EKMT2AALDH1A1MEN1SMN1; SMN2 | |
| Methylene Chloride SCHEMBL28208571 | 0.62 | ALDH1A1 (0.45) | KDM4EKMT2AALDH1A1MEN1SMN1; SMN2 | |
| SCHEMBL23360900 | 0.62 | CA2 (0.41) | KDM4EKMT2AALDH1A1MEN1SMN1; SMN2 | |
| Acetonitrile SCHEMBL28134911 | 0.61 | MAPT (0.38) | KDM4EKMT2AALDH1A1SMN1; SMN2LMNA | |
| Benzoyl Chloride SCHEMBL8359124 | 0.58 | CES1 (0.37) | KDM4EKMT2AALDH1A1MEN1SMN1; SMN2 | |
| SCHEMBL1460828 | 0.58 | ADORA2A (0.59) | ALDH1A1MPOTPOSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1824855-A1 | NOVEL PYRROLO [3, 2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY | AstraZeneca AB (SE) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006062465-A1 | NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY | ASTRAZENECA AB (SE) | 2006-06-15 | — | — | WO | disclosed |