Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.63 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | GRM5 | P41594 | 2/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | F12 | P00748 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24589930 | 0.85 | CYP2A6 (0.67) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL10168729 | 0.84 | CYP19A1 (0.62) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL4773440 | 0.82 | CYP2A6 (0.63) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL2239691 | 0.82 | CYP2A6 (0.63) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL19047219 | 0.82 | CYP2A6 (0.63) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL16606290 | 0.81 | CYP2A6 (0.70) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL4340551 | 0.81 | KDM4E (0.63) | NPC1RAB9ATP53SMN1; SMN2PKM | |
| SCHEMBL1443106 | 0.81 | KDM4E (0.68) | NPC1RAB9ATP53SMN1; SMN2PKM | |
| SCHEMBL19037577 | 0.79 | CYP2A6 (0.58) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL29360744 | 0.79 | CYP2A6 (1.00) | CYP2A6NPC1RAB9ATP53SMN1; 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 |