Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK3 | O14649 | 3/20 | 0.40 |
| ▸ | KCNK9 | Q9NPC2 | 3/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16956170 | 0.87 | KCNK3 (0.39) | KCNK3KCNK9ALDH1A1TDP1AKR1C3 | |
| SCHEMBL16951764 | 0.80 | KCNK3 (0.33) | KCNK3KCNK9ALDH1A1TDP1AKR1C3 | |
| SCHEMBL16958356 | 0.78 | ALDH1A1 (0.58) | ALDH1A1TDP1AKR1C3AKR1C2TP53 | |
| SCHEMBL26922160 | 0.78 | AKR1C3 (0.36) | ALDH1A1TDP1AKR1C3AKR1C2TP53 | |
| SCHEMBL16954493 | 0.78 | KCNK3 (0.34) | KCNK3KCNK9AKR1C3AKR1C2TP53 | |
| SCHEMBL3779733 | 0.78 | NPC1 (0.36) | KCNK3KCNK9ALDH1A1TDP1AKR1C3 | |
| SCHEMBL27703298 | 0.77 | KCNK3 (0.43) | KCNK3KCNK9P2RX7ALDH1A1PDE9A | |
| SCHEMBL28798122 | 0.77 | P2RX7 (0.57) | P2RX7ALDH1A1TDP1AKR1C3AKR1C2 | |
| SCHEMBL10524671 | 0.76 | MAPT (0.40) | ALDH1A1TDP1AKR1C3AKR1C2TP53 | |
| SCHEMBL30806803 | 0.76 | P2RX7 (0.44) | KCNK3KCNK9P2RX7ALDH1A1KDM4E |
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-102482221-A | Bicyclic and tricyclic compounds as KATII inhibitors | PFIZER | 2012-05-30 | — | — | CN | disclosed |