Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | FASN | P49327 | 2/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | SCD5 | Q86SK9 | 3/20 | 0.41 |
| ▸ | SCD | O00767 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | SPR | P35270 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30008315 | 0.81 | HRH4 (0.49) | HRH4HRH3TACR3 | |
| SCHEMBL30007265 | 0.81 | AVPR1A (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30007560 | 0.81 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL30008041 | 0.77 | CDK5 (0.44) | KCNH2SCD | |
| SCHEMBL30008202 | 0.72 | KMT2A (0.47) | CA1CA2CA7CA9CA14 | |
| SCHEMBL30007738 | 0.72 | KDM5A (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30007554 | 0.72 | AVPR1A (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27306947 | 0.70 | AKR1C3 (0.66) | HRH4HRH3 | |
| SCHEMBL22777821 | 0.68 | AXL (0.50) | — | |
| SCHEMBL23147464 | 0.67 | AXL (0.51) | — |
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-2022237922-A1 | ANTITUMOR COMPOUNDS BASED ON NITROGEN HETEROCYCLES AND USE THEREOF AS MEDICAMENTS | FAKULTNI NEMOCNICE HRADEC KRALOVE (CZ) | 2022-11-17 | — | — | WO | claimed |
| WO-2022237922-A1 | ANTITUMOR COMPOUNDS BASED ON NITROGEN HETEROCYCLES AND USE THEREOF AS MEDICAMENTS | FAKULTNI NEMOCNICE HRADEC KRALOVE (CZ) | 2022-11-17 | — | — | WO | disclosed |