Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 2/20 | 0.37 |
| ▸ | F12 | P00748 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.36 |
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 | 0.79 | CYP2A6 (0.46) | CYP2A6NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL4766345 | 0.79 | CYP2A6 (0.46) | CYP2A6NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL4771528 | 0.79 | RAB9A (0.46) | SIRT2NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL4771872 | 0.75 | CYP2A6 (0.45) | CYP2A6NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL3962124 | 0.71 | CYP2A6 (0.46) | CYP2A6NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL4774839 | 0.71 | DYRK1A (0.51) | CYP2A6NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL4771962 | 0.71 | HDAC1 (0.44) | CYP2A6CYP2C9KDM4ESCN5A | |
| SCHEMBL4771979 | 0.71 | HDAC1 (0.44) | CYP2A6CYP2C9KDM4ESCN5A | |
| SCHEMBL4776020 | 0.71 | CDK4 (0.49) | SMN1; SMN2MEN1KMT2AHTTSCN9A | |
| SCHEMBL4773464 | 0.70 | KDM1A (0.42) | CYP2A6NPC1RAB9ASMN1; SMN2TP53 |
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 |