Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28187823 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CYP2A6KIF11RAB9ASMN1; SMN2 | |
| SCHEMBL4108450 | 0.78 | PTGER4 (0.43) | ALDH1A1CYP2A6KIF11NPC1RAB9A | |
| SCHEMBL29952933 | 0.78 | PTGER4 (0.43) | ALDH1A1CYP2A6KIF11NPC1RAB9A | |
| SCHEMBL29951294 | 0.78 | CYP1A2 (0.57) | ALDH1A1CYP2A6KIF11NPC1RAB9A | |
| SCHEMBL6362144 | 0.78 | CYP1A2 (0.57) | ALDH1A1CYP2A6KIF11NPC1RAB9A | |
| SCHEMBL2996328 | 0.78 | ERN1 (0.45) | ALDH1A1CYP2A6KIF11NPC1RAB9A | |
| SCHEMBL31141573 | 0.78 | ERN1 (0.45) | ALDH1A1CYP2A6KIF11NPC1RAB9A | |
| SCHEMBL30693087 | 0.77 | ANPEP (0.42) | ALDH1A1CYP2A6NPC1RAB9AHSD17B10 | |
| SCHEMBL6756235 | 0.77 | ANPEP (0.42) | ALDH1A1CYP2A6NPC1RAB9AHSD17B10 | |
| SCHEMBL6200530 | 0.76 | NQO2 (0.55) | ALDH1A1CYP2A6RAB9AHSD17B10ERN1 |
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 |