Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.43 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL7423380 | 0.76 | ALDH1A1 (0.39) | PARP1SMN1; SMN2HPGDMAPTGAA | |
| SCHEMBL7421945 | 0.75 | PARP1 (0.36) | PARP1MAPK1MAPTGAAXDH | |
| SCHEMBL7425752 | 0.71 | KDM4E (0.36) | PARP1SMN1; SMN2KMT2AMEN1PKM | |
| SCHEMBL13908143 | 0.68 | PNP (0.43) | SMN1; SMN2HPGDKMT2ATSHRUSP2 | |
| SCHEMBL4809195 | 0.63 | BACE1 (1.00) | BACE1SMN1; SMN2HPGDKMT2AMAPT | |
| SCHEMBL13907978 | 0.62 | BCL6 (0.45) | PARP1HPGDMAPTGAAXDH | |
| SCHEMBL6170448 | 0.60 | KDM4E (0.45) | SMN1; SMN2HPGDGAAXDHALDH1A1 | |
| SCHEMBL159894 | 0.60 | ACACB (0.43) | SMN1; SMN2KMT2AMEN1MAPK1MAPT | |
| SCHEMBL2403638 | 0.59 | BACE1 (0.73) | BACE1SMN1; SMN2ABL1RIN1XDH | |
| SCHEMBL9242061 | 0.59 | BACE1 (0.78) | BACE1KMT2AABL1RIN1XDH |
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 |