Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.40 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.40 |
| ▸ | TUBA3E | Q6PEY2 | 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 | |
|---|---|---|---|---|
| SCHEMBL17157371 | 1.00 | CA1 (0.42) | CA1CA2CA12CA7CA9 | |
| SCHEMBL3139123 | 0.89 | GPR3 (0.42) | NPC1RAB9AALDH1A1TSHRCYP3A4 | |
| SCHEMBL4048673 | 0.86 | ENPP2 (0.44) | CA1CA2CA12CA7CA9 | |
| SCHEMBL29956187 | 0.86 | ENPP2 (0.44) | CA1CA2CA12CA7CA9 | |
| SCHEMBL263475 | 0.86 | TUBB4A (0.43) | CA1CA2CA12CA7CA9 | |
| SCHEMBL29956388 | 0.82 | L3MBTL1 (0.44) | NPC1ALDH1A1TSHRCYP3A4CYP1A1 | |
| SCHEMBL203357 | 0.81 | CA1 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL29496939 | 0.81 | CA1 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL31522728 | 0.79 | GPR3 (0.37) | ENPP2MAPTCRHR1 | |
| SCHEMBL22684147 | 0.79 | MAOB (0.38) | ENPP2ALDH1A1CYP1A1CYP1B1 |
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 |