Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 1/20 | 0.47 |
| ▸ | AXL | P30530 | 1/20 | 0.46 |
| ▸ | CAMKK2 | Q96RR4 | 4/20 | 0.42 |
| ▸ | SGK1 | O00141 | 3/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | CAMKK1 | Q8N5S9 | 1/20 | 0.42 |
| ▸ | SGK3 | Q96BR1 | 1/20 | 0.42 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | IL2 | P60568 | 1/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.41 |
| ▸ | PAK1 | Q13153 | 3/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL30007265 | 0.91 | AVPR1A (0.49) | AVPR1AAXLCAMKK2SGK1PIK3CA | |
| SCHEMBL30007738 | 0.85 | KDM5A (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30007804 | 0.82 | ALDH1A1 (0.46) | AXLMAP3K11 | |
| SCHEMBL30007369 | 0.82 | DRD2 (0.47) | CAMKK2SGK1IL2MAP4K1IKBKB | |
| SCHEMBL30007672 | 0.82 | PAK1 (0.53) | AXLCAMKK2PIK3CACA1CA2 | |
| SCHEMBL30007824 | 0.82 | CHRM2 (0.44) | PIK3CAMAP4K1PAK1MAP3K11CHRM2 | |
| Hydrochloric Acid SCHEMBL30007576 | 0.79 | AXL (0.54) | AXLCAMKK2SGK1PIK3CAAURKA | |
| SCHEMBL30008314 | 0.76 | AXL (0.67) | AXLCAMKK2SGK1PIK3CAAAK1 | |
| SCHEMBL30007677 | 0.75 | AXL (0.50) | AXLCAMKK2SGK1PIK3CAAAK1 | |
| SCHEMBL30007560 | 0.75 | CA12 (0.43) | 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 1 patent. 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 | disclosed |