Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 4/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.37 |
| ▸ | PLK4 | O00444 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.37 |
| ▸ | LCK | P06239 | 2/20 | 0.37 |
| ▸ | FYN | P06241 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5223137 | 0.85 | KDR (0.56) | SMN1; SMN2ALDH1A1LMNAMAPTHTT | |
| SCHEMBL4978591 | 0.78 | KDR (0.45) | SMN1; SMN2ALDH1A1LMNAMAPTHTT | |
| SCHEMBL4978600 | 0.74 | LMNA (0.46) | SMN1; SMN2ALDH1A1LMNAMAPTHTT | |
| SCHEMBL4978336 | 0.73 | KDR (0.45) | KDRMET | |
| SCHEMBL4977088 | 0.73 | KDR (0.40) | KDRMETNTRK1 | |
| SCHEMBL4980837 | 0.73 | BTK (0.50) | SMN1; SMN2BTKMTORKDRAURKB | |
| SCHEMBL5224590 | 0.72 | KDR (0.54) | KDRAURKBCYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL4980031 | 0.72 | BTK (0.49) | SMN1; SMN2BTKMTORKDRAURKB | |
| SCHEMBL5225921 | 0.72 | KDR (0.55) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5225412 | 0.71 | KDR (0.55) | KDRAURKBCYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1487824-B1 | DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-06-20 | — | — | EP | disclosed |