Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 4/20 | 0.44 |
| ▸ | DRD4 | P21917 | 4/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29951178 | 0.83 | ENPP2 (0.47) | CA1CA2NPC1USP2MAPK1 | |
| SCHEMBL257984 | 0.82 | CA1 (0.67) | CA1CA2ALDH1A1DRD2DRD4 | |
| SCHEMBL29955073 | 0.82 | RAB9A (0.67) | NPC1MAPK1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL9808023 | 0.82 | ALDH1A1 (0.61) | NPC1USP2MAPK1ALDH1A1DRD2 | |
| SCHEMBL12663145 | 0.80 | CA1 (0.64) | CA1CA2ALDH1A1DRD2DRD4 | |
| SCHEMBL29952830 | 0.80 | RAB9A (0.49) | CA1CA2NPC1MAPK1ALDH1A1 | |
| SCHEMBL6939490 | 0.79 | CHRNB2 (0.53) | NPC1MAPK1ALDH1A1DRD2DRD4 | |
| SCHEMBL10345792 | 0.77 | DRD2 (0.68) | NPC1MAPK1ALDH1A1DRD2DRD4 | |
| SCHEMBL10598373 | 0.77 | RAB9A (0.65) | NPC1MAPK1ALDH1A1DRD2DRD4 | |
| SCHEMBL14167586 | 0.77 | CA2 (0.48) | CA1CA2NPC1MAPK1ALDH1A1 |
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 |