Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL7421945 | 0.84 | PARP1 (0.36) | ALDH1A1KDM4EPARP1TDP1POLB | |
| SCHEMBL7425752 | 0.84 | KDM4E (0.36) | ALDH1A1KDM4EPARP1NPSR1SMN1; SMN2 | |
| SCHEMBL7428711 | 0.76 | BACE1 (0.43) | ALDH1A1KDM4EPARP1HPGDSMN1; SMN2 | |
| SCHEMBL1495964 | 0.67 | NPSR1 (0.56) | ALDH1A1KDM4ENPSR1HPGDTDP1 | |
| SCHEMBL8572190 | 0.67 | AR (0.49) | ALDH1A1KDM4ENPSR1HPGDTDP1 | |
| SCHEMBL28572614 | 0.64 | TDO2 (0.51) | ALDH1A1KDM4EPARP1HPGDTDP1 | |
| SCHEMBL5552600 | 0.64 | NPSR1 (0.51) | ALDH1A1KDM4ENPSR1HPGDTDP1 | |
| SCHEMBL15417877 | 0.64 | KDM4E (0.38) | ALDH1A1KDM4EPARP1HTTTDP1 | |
| SCHEMBL13132281 | 0.64 | MAP2K4 (0.43) | ALDH1A1KDM4ETDP1POLBMAP2K4 | |
| SCHEMBL3603266 | 0.64 | MAP2K4 (0.52) | ALDH1A1KDM4EPARP1HPGDHTT |
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 |