Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.54 |
| ▸ | WNT1 | P04628 | 5/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.49 |
| ▸ | GSK3B | P49841 | 4/20 | 0.49 |
| ▸ | KDR | P35968 | 11/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23048870 | 0.81 | DYRK1A (0.64) | WNT1DYRK1AGSK3BKDR | |
| SCHEMBL13513650 | 0.80 | KDR (0.66) | KDRNPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL21313815 | 0.79 | ADORA2A (0.49) | ARWNT1DYRK1AGSK3BNPC1 | |
| SCHEMBL6178573 | 0.79 | KDR (0.70) | KDR | |
| Bromide SCHEMBL2527162 | 0.78 | ADORA2A (0.48) | ARWNT1DYRK1AGSK3BNPC1 | |
| SCHEMBL27631112 | 0.77 | HSD17B1 (0.56) | ARNPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL13680663 | 0.76 | KDR (0.56) | KDR | |
| SCHEMBL10013475 | 0.74 | HSD17B1 (0.53) | ARNPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL10013474 | 0.74 | HSD17B1 (0.53) | ARNPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL24112366 | 0.74 | NPC1 (0.44) | NPC1RAB9ALMNAMAPT |
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-3741757-B1 | DIHYDROINDOLIZINONE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2023-07-26 | — | — | EP | disclosed |