Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7423380 | 0.84 | ALDH1A1 (0.39) | KDM4EALDH1A1PARP1NPC1LMNA | |
| SCHEMBL7421945 | 0.78 | PARP1 (0.36) | KDM4EPDE3BPDE3AADORA1PDE1A | |
| SCHEMBL7428711 | 0.71 | BACE1 (0.43) | KDM4EALDH1A1PARP1MEN1KMT2A | |
| SCHEMBL7655673 | 0.67 | LMNA (0.47) | KDM4EALDH1A1NPC1MEN1KMT2A | |
| SCHEMBL8319516 | 0.64 | GAA (0.41) | KDM4EPDE3BPDE3AALDH1A1MEN1 | |
| SCHEMBL7159712 | 0.62 | CYP4F2 (0.64) | KMT2ATDP1 | |
| SCHEMBL3603266 | 0.62 | MAP2K4 (0.52) | KDM4EALDH1A1PARP1NPC1MEN1 | |
| SCHEMBL12290429 | 0.62 | CYP4F2 (0.58) | ALDH1A1TDP1 | |
| SCHEMBL16175866 | 0.61 | KDM4E (0.68) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL16850624 | 0.61 | KDM4E (0.68) | KDM4EALDH1A1MEN1KMT2ALMNA |
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-1054871-A2 | PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2000-11-29 | — | — | EP | disclosed |
| WO-1999050249-A2 | PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-10-07 | — | — | WO | disclosed |