Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.49 |
| ▸ | F12 | P00748 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | GRM5 | P41594 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7264634 | 0.86 | ADORA2A (0.68) | NPC1TP53PKMTSHRRAB9A | |
| SCHEMBL4768766 | 0.85 | CYP2A6 (0.46) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL24589930 | 0.85 | CYP2A6 (0.67) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL13912521 | 0.84 | ADORA2A (0.71) | CYP2A6NPC1TP53TSHRRAB9A | |
| SCHEMBL19830922 | 0.84 | ADORA2A (0.59) | CYP2A6TP53TSHRSMN1; SMN2CYP19A1 | |
| SCHEMBL2239691 | 0.82 | CYP2A6 (0.63) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL19047219 | 0.82 | CYP2A6 (0.63) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4773465 | 0.82 | CYP2A6 (0.63) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL19054158 | 0.81 | ADORA2A (0.71) | CYP2A6NPC1TP53TSHRRAB9A | |
| SCHEMBL16606290 | 0.81 | CYP2A6 (0.70) | CYP2A6NPC1TP53PKMTSHR |
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 |