Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1581469 | 0.81 | PDE10A (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29723725 | 0.79 | P2RX7 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29987012 | 0.79 | ALDH1A1 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29723727 | 0.79 | P2RX7 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10002478 | 0.79 | MAOB (0.43) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL5032709 | 0.79 | CA12 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30015156 | 0.79 | CA12 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21909726 | 0.79 | CA12 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19432655 | 0.79 | MBOAT4 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL731990 | 0.79 | P2RX7 (0.45) | CA12CA1CA2CA7CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023280073-A1 | METHOD FOR PREPARING NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, AND INTERMEDIATE AND USE OF COMPOUND | 北京志健金瑞生物医药科技有限公司 | 2023-01-12 | — | — | WO | disclosed |
| WO-2021023209-A1 | NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUNDS, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 北京志健金瑞生物医药科技有限公司 | 2021-02-11 | — | — | WO | disclosed |