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 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.42 |
| ▸ | FPR2 | P25090 | 1/20 | 0.42 |
| ▸ | ATR | Q13535 | 2/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | F12 | P00748 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | VCP | P55072 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | 1.00 | CYP2A6 (0.46) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL4773536 | 0.83 | CYP2A6 (0.44) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL4773513 | 0.83 | CYP2A6 (0.44) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL4775017 | 0.83 | CYP2A6 (0.44) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL3962124 | 0.83 | CYP2A6 (0.46) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL4774839 | 0.83 | DYRK1A (0.51) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL4771528 | 0.82 | RAB9A (0.46) | NPC1TP53RAB9ASMN1; SMN2TSHR | |
| SCHEMBL4776020 | 0.82 | CDK4 (0.49) | SMN1; SMN2SCN9AKMT2ASYK | |
| SCHEMBL4771519 | 0.79 | CYP2A6 (0.40) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL4773182 | 0.79 | CYP2A6 (0.39) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |