Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 4/20 | 0.50 |
| ▸ | KIF20B | Q96Q89 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | SGK1 | O00141 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30679228 | 1.00 | TOP1 (0.50) | TOP1KIF20BPARP1TRPV1NPC1 | |
| SCHEMBL29135222 | 0.89 | PARP1 (0.53) | TOP1KIF20BPARP1NPC1RAB9A | |
| SCHEMBL30679240 | 0.89 | PARP1 (0.53) | TOP1KIF20BPARP1NPC1RAB9A | |
| SCHEMBL30679231 | 0.80 | YES1 (0.50) | TOP1PARP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30679225 | 0.80 | YES1 (0.50) | TOP1PARP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL15539550 | 0.80 | YES1 (0.50) | TOP1PARP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3132608 | 0.75 | NT5E (0.35) | KIF20BTRPV1 | |
| SCHEMBL21516056 | 0.73 | KCNH2 (0.46) | KIF20BPARP1KIF11KDM1AMAOB | |
| SCHEMBL30139976 | 0.72 | NPC1 (0.62) | TOP1PARP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1303359 | 0.72 | NPC1 (0.62) | TOP1PARP1NPC1RAB9ASMN1; 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 |
|---|---|---|---|---|---|---|---|
| CN-117304233-A | Iridium metal complex, application thereof and organic electroluminescent device | 清华大学 | 2023-12-29 | — | — | CN | disclosed |