Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
| ▸ | KARS1 | Q15046 | 2/20 | 0.38 |
| ▸ | ABL1 | P00519 | 2/20 | 0.38 |
| ▸ | KIT | P10721 | 2/20 | 0.38 |
| ▸ | BCR | P11274 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ABL2 | P42684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2235626 | 0.76 | HDAC1 (0.48) | MKNK1MKNK2HDAC1 | |
| SCHEMBL4771872 | 0.74 | CYP2A6 (0.45) | CYP2A6ADORA2AADORA1CYP1A2ABL1 | |
| SCHEMBL4777383 | 0.73 | METAP1 (0.47) | HDAC1 | |
| SCHEMBL4774839 | 0.73 | DYRK1A (0.51) | CYP2A6ADORA2AADORA1CYP1A2NPC1 | |
| SCHEMBL4766345 | 0.73 | CYP2A6 (0.46) | CYP2A6CYP1A2F2F12NPC1 | |
| SCHEMBL4766379 | 0.73 | CYP2A6 (0.46) | CYP2A6CYP1A2F2F12NPC1 | |
| SCHEMBL4767685 | 0.73 | ADORA1 (0.47) | ADORA2AADORA1 | |
| SCHEMBL4775851 | 0.71 | PIM1 (0.45) | CYP1A2KARS1KITHTR1AHTR7 | |
| SCHEMBL3962124 | 0.71 | CYP2A6 (0.46) | CYP2A6ADORA2ACYP1A2NPC1TP53 | |
| SCHEMBL3962923 | 0.71 | CYP2A6 (0.43) | CYP2A6ADORA2ACYP1A2NPC1TP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2044056-A1 | PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS | Novartis Ag (CH) | 2009-04-08 | — | — | EP | claimed |
| WO-2008006583-A1 | PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS | NOVARTIS AG (CH) | 2008-01-17 | — | — | WO | claimed |
| EP-2044056-A1 | PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS | Novartis Ag (CH) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008006583-A1 | PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS | NOVARTIS AG (CH) | 2008-01-17 | — | — | WO | disclosed |