Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | PKM | P14618 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL23093432 | 1.00 | HDAC1 (0.36) | HDAC1CYP2A6PIK3CAMTORSCN9A | |
| SCHEMBL31504097 | 0.81 | CYP19A1 (0.45) | CYP2A6NPC1RAB9AGABRA1GABRG2 | |
| SCHEMBL20390600 | 0.81 | ASIC3 (0.49) | HDAC1CYP2A6PIK3CAMTORSCN9A | |
| SCHEMBL29802385 | 0.76 | ALDH1A3 (0.42) | NPC1RAB9AMAPK14MAPTALDH1A1 | |
| SCHEMBL23093241 | 0.76 | ALDH1A3 (0.42) | NPC1RAB9AMAPK14MAPTALDH1A1 | |
| SCHEMBL23093224 | 0.73 | PIK3CD (0.43) | CYP19A1 | |
| SCHEMBL29802465 | 0.73 | PIK3CD (0.43) | CYP19A1 | |
| SCHEMBL1334170 | 0.71 | HSP90AA1 (0.53) | HDAC1NPC1RAB9AHSP90AA1TGFBR1 | |
| SCHEMBL1404138 | 0.70 | — | — | |
| SCHEMBL28670824 | 0.67 | RAB9A (0.62) | NPC1PKMRAB9AHSP90AA1MAPT |
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-4027993-A1 | CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF | The Broad Institute Inc. (US) | 2022-07-20 | — | — | EP | disclosed |