Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.55 |
| ▸ | CSF1R | P07333 | 3/20 | 0.54 |
| ▸ | KIT | P10721 | 2/20 | 0.54 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | BRAF | P15056 | 6/20 | 0.48 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.48 |
| ▸ | VNN1 | O95497 | 1/20 | 0.47 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.47 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.47 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.47 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.47 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | RAF1 | P04049 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27699760 | 0.87 | KCNQ3 (0.53) | PIK3CACSF1RP2RX1AURKABRAF | |
| SCHEMBL27720393 | 0.84 | MEN1 (0.61) | KCNK3NPC1RAB9AKCNQ3KCNQ2 | |
| SCHEMBL27699924 | 0.83 | LCK (0.60) | CSF1RKITBRAF | |
| Cyclopropane SCHEMBL27720374 | 0.81 | MEN1 (0.57) | CSF1RKITKCNK3NPC1RAB9A | |
| SCHEMBL27720423 | 0.81 | KCNQ3 (0.58) | CSF1RKITBRAFNPC1RAB9A | |
| SCHEMBL27720418 | 0.80 | CSF1R (0.50) | CSF1RKITBRAFNPC1RAB9A | |
| SCHEMBL27699900 | 0.78 | BRAF (0.52) | CSF1RKITBRAFRAB9AKCNQ3 | |
| SCHEMBL27720500 | 0.77 | KMT2A (0.64) | KCNK3NPC1RAB9A | |
| SCHEMBL7745683 | 0.76 | P2RX1 (0.82) | P2RX1KCNK3NPC1RAB9ANR2E1 | |
| SCHEMBL28772278 | 0.75 | KCNQ3 (0.62) | KCNK3NPC1RAB9AKCNQ3KCNQ2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101128454-A | Pyridine carboxamide derivatives for use as anticancer agents | ASTRAZENECA AB (SE) | 2008-02-20 | — | — | CN | disclosed |