Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.51 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.40 |
| ▸ | PRMT3 | O60678 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3126133 | 1.00 | CYP19A1 (0.51) | CYP19A1TBXAS1PDE10AIMPDH2CYP3A4 | |
| SCHEMBL1401429 | 0.93 | CYP19A1 (0.51) | CYP19A1TBXAS1PDE10AIMPDH2CCNT1 | |
| SCHEMBL29952031 | 0.93 | CYP19A1 (0.51) | CYP19A1TBXAS1PDE10AIMPDH2CCNT1 | |
| SCHEMBL6599732 | 0.81 | CYP19A1 (0.54) | CYP19A1TBXAS1PDE10AIMPDH2CYP3A4 | |
| SCHEMBL19796376 | 0.77 | IMPDH2 (0.44) | CYP19A1IMPDH2CYP3A4PRMT3ROCK2 | |
| SCHEMBL9592639 | 0.77 | CYP19A1 (0.54) | CYP19A1TBXAS1PDE10AIMPDH2PRMT3 | |
| SCHEMBL3825275 | 0.77 | CYP19A1 (0.54) | CYP19A1TBXAS1PDE10AIMPDH2PRMT3 | |
| SCHEMBL5801109 | 0.77 | CYP19A1 (0.54) | CYP19A1TBXAS1CYP2A6ROCK2ROCK1 | |
| SCHEMBL22911613 | 0.77 | CYP19A1 (0.54) | CYP19A1TBXAS1PDE10AIMPDH2HASPIN | |
| SCHEMBL3144694 | 0.77 | CYP19A1 (0.54) | CYP19A1TBXAS1PDE10AIMPDH2HASPIN |
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 |