Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | DHPS | P49366 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4766379 | 0.83 | CYP2A6 (0.46) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL4766345 | 0.83 | CYP2A6 (0.46) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL4774839 | 0.83 | DYRK1A (0.51) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL4773536 | 0.81 | CYP2A6 (0.44) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL4775017 | 0.81 | CYP2A6 (0.44) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL4773513 | 0.81 | CYP2A6 (0.44) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL2241722 | 0.81 | CYP2A6 (0.46) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL4773182 | 0.77 | CYP2A6 (0.39) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL4773165 | 0.77 | CYP2A6 (0.39) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL3962923 | 0.76 | CYP2A6 (0.43) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 |
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 |