Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | GPR39 | O43194 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL4773261 | 0.88 | SYK (0.47) | CYP2A6SMN1; SMN2NPC1TP53PKM | |
| SCHEMBL4878463 | 0.88 | SYK (0.47) | CYP2A6SMN1; SMN2NPC1TP53PKM | |
| SCHEMBL4775378 | 0.83 | MERTK (0.52) | CYP2A6SMN1; SMN2NPC1TP53PKM | |
| SCHEMBL30085581 | 0.81 | KMT2A (0.48) | NPC1GBA1CNR1ADORA3NPSR1 | |
| SCHEMBL28895091 | 0.81 | KMT2A (0.48) | NPC1GBA1CNR1ADORA3NPSR1 | |
| SCHEMBL28895089 | 0.81 | KMT2A (0.48) | NPC1GBA1CNR1ADORA3NPSR1 | |
| SCHEMBL4773025 | 0.79 | CYP2A6 (0.47) | CYP2A6SMN1; SMN2NPC1TP53PKM | |
| SCHEMBL4775007 | 0.77 | ALDH1A1 (0.38) | CYP2A6SMN1; SMN2NPC1TP53PKM | |
| SCHEMBL4768694 | 0.76 | KIT (0.44) | GBA1TGFBR1TGFBR2ABL1PDGFRB | |
| SCHEMBL4775400 | 0.76 | GBA1 (0.53) | CYP2A6SMN1; SMN2NPC1TP53PKM |
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 |