Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31662881 | 1.00 | CA12 (0.48) | CA12CA1CA9MAP4K4CYP17A1 | |
| SCHEMBL10013751 | 0.89 | CA12 (0.48) | CA12CA1CA9MAP4K4CYP17A1 | |
| SCHEMBL6814477 | 0.87 | CA12 (0.44) | CA12CA1CA9MAP4K4CYP17A1 | |
| SCHEMBL6815654 | 0.87 | CA12 (0.44) | CA12CA1CA9MAP4K4CYP17A1 | |
| SCHEMBL4697831 | 0.86 | AURKB (0.57) | CA1MEN1KMT2ANPC1NFKB1 | |
| SCHEMBL5891978 | 0.84 | CA12 (0.49) | CA12CA1CA9MAP4K4CYP17A1 | |
| SCHEMBL16303890 | 0.83 | EPHX1 (0.58) | CA12CA1CA9MEN1KMT2A | |
| SCHEMBL29956706 | 0.83 | CA12 (0.48) | CA12CA1CA9MAP4K4CYP17A1 | |
| SCHEMBL20157610 | 0.83 | CA12 (0.48) | CA12CA1CA9MAP4K4CYP17A1 | |
| SCHEMBL25340465 | 0.81 | CA12 (0.46) | CA12CA1CA9CYP17A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |